Commentary on (2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)but-2-en-1-one

Historical Development

Scientific curiosity often drives chemists to dig deeper. The emergence of (2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)but-2-en-1-one speaks to that spirit. In the late 20th century, focus on the triazolopyrazine core came from efforts to build structures that block enzymes and change metabolic pathways, mainly for pharmaceuticals. Over time, this compound attracted interest because the trifluoromethyl group brought new behavior in metabolic resistance and cellular permeability. Synthetic organic chemists learned through a lot of careful benchwork that tacking on strong electron-withdrawing substituents shifted not just physical properties but also biological activity. The field saw hundreds of similar candidates, but the push toward candidates containing multiple fluorines or new heterocycles—trends mirrored here—tied together medicinal and agricultural pursuits. More recent years have ushered in automated synthesis, modern spectroscopy, and informatics, speeding up both validation and optimization. Behind scientific names and formulas run decades of muscle, intellectual investments, and frequent mistakes, always in hopes of finding something safer or more effective for doctors, farmers, or materials engineers.

Product Overview

Have you ever picked up a bottle with a name too technical for comfort? Truth is, compounds like this one underpin everything from disease treatment to crop protection. Specifically, (2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)but-2-en-1-one usually shows up as a fine pale solid, packaged in air-tight jars to shield from humidity and light. Laboratories, biotech startups, and global pharma labs source it for its ability to slip through biological membranes more efficiently than less fluorinated cousins. What makes it particularly valuable beyond its basic structure ties back to its unique combination of stability and reactivity—it keeps its cool during routine handling, yet still interacts strongly with biological targets, making it a preferred lead in several research pipelines that reach from antimicrobials to anti-tumor studies.

Physical & Chemical Properties

Noticing a powder’s color, feel, or smell usually gives away next to nothing about its potential, but trained chemists read more into melting points, solubility, and spectral signatures. Here, this compound’s melting point rises above 180°C, a sign that heat alone won’t break it down quickly. Its slight yellow tint comes from an extended pi-system, while that sharp, almost medicinal scent owes itself to the trifluorinated phenyl ring. Water rarely does the trick dissolving such molecules; more commonly, solvents like DMSO or DMF are pressed into service in labs. Nuclear magnetic resonance (NMR) and high-resolution mass spectrometry confirm each atom’s placement, a vital step since tiny structural slips sabotage research outcomes. The molecule shows good chemical persistence—hardly budging in the face of mild acids, bases or brief UV exposure—qualities that make it reliable for storage and downstream modifications.

Technical Specifications & Labeling

No one wants ambiguous chemicals showing up at their site. Proper documentation means a lot: batch number, lot purity, exact weight, storage instructions, and manufacturer credentials. The best suppliers go beyond standard GHS labeling, including up-to-date safety data, recommended PPE, and hints about reactivity. Purity, which rarely dips below 97%, gets double-checked using both HPLC and GC. Moisture and trace solvent content matter to researchers hoping for reproducibility, so leading labs give detailed certificates of analysis. My own experience reviewing chemical shipment logs impresses on me the value of tracing product chain-of-custody, especially once stricter regulations come into play for research or environmental controls.

Preparation Method

Getting to such a complex target calls for multiple steps. The synthesis often starts with a functionalized triazole or pyrazine, building out the backbone before introducing the trifluoromethyl and phenyl pieces. Coupling reactions, such as palladium-catalyzed cross-couplings or nucleophilic substitutions, stitch together the molecular fragments. After initial reactions, purification relies on flash column chromatography using silica or preparative HPLC—tedious, but vital for ensuring only the desired isomer is kept. Yields in the 50–80% range depend on skill, glassware quality, and attention to reaction conditions. Scaling up from milligrams to grams, few processes stay identical; controlling by-products, solvent choices, or work-up steps separates the experienced synthetic chemist from the novice, especially with air- and moisture-sensitive reagents.

Chemical Reactions & Modifications

Once isolated, the molecule can take on new forms. Both the triazolopyrazine core and the butenone chain offer multiple points for further tweaking. These changes allow scientists to tweak potency, selectivity, or physical handling. Reductive amination, hydrolysis, or perfluoroalkylation add new groups or shift the balance between hydrophilic and hydrophobic zones. That triazole ring draws in oxidants and electrophiles, giving functional groups somewhere to latch on without breaking the molecule apart. Medicinal chemists in my network treasure this versatility—it means tailoring the compound for a specific target while keeping the base framework live. Analytical chemists, in turn, can use slight modifications for radiolabeling or attaching fluorescent tags, making follow-up studies in cell culture or animal models much more direct.

Synonyms & Product Names

Ask for this molecule by its full systematic name and you’ll see eyes glaze over. In practice, chemical suppliers and researchers alike shorten nomenclature for sanity’s sake. Abbreviations combining fragments of its core system—like TF-Triazolopyrazinone—or even internal code numbers from pharmaceutical pipelines tend to circulate among specialists. Common synonyms include its Z/E isomer codes, or regional naming conventions, adding to the tangle. For anyone stepping into research meetings, knowing those synonyms can be the difference between catching an important data result and missing it completely—never assume just the “official” name will show up on every report or safety sheet.

Safety & Operational Standards

Lab safety with any fluorinated organic relies on discipline and up-to-date protocols. Handling this molecule means using gloves, glasses, and often a fume hood. Direct inhalation or exposure, though rare at small scales, can irritate the eyes, skin, or lungs. Accidental spills, unless managed quickly, make for slippery floors or stubborn residues. Material Safety Data Sheets (MSDS) from reputable suppliers break down exposure limits, first aid measures, and recommended waste disposal. Chemical waste containing this material needs special collection and incineration—standard sinks or drains never meet requirements here. From experience, shortcuts on handling pay a steep price, both in terms of lab health and accidental loss of valuable product.

Application Area

The range stretches pretty far. In drug discovery, this scaffold acts as a key intermediate on the path to kinase inhibitors and other enzyme-targeted treatments. Beyond medicine, agrochemical companies look for molecules with these features, testing for both pest control and plant resilience. Material scientists appreciate its stability and electron-rich core for designing organic electronic components, especially for sensors and optoelectronic gadgets. In every sector, partners from biology to materials labs collaborate to adapt these molecules to their tough, specific challenges—whether it’s dissolving rapidly in the body or sticking around in a plastic film for years. I’ve sat in meetings where teams argue whether to chase activity against a bacterial strain or switch gears for a specialty coating—flexibility goes a long way, but each application demands careful, targeted exploration.

Research & Development

Active R&D keeps driving evolution. Scientists screen dozens of analogs for every promising hit, relying on a mix of intuition and machine learning. Broadening the molecule’s reach typically means swapping in new side chains or tuning the oxidation state. Funding agencies and venture groups send support to projects balancing novelty with clear application potential—nobody wants to chase dead ends forever. Universities and contract research labs routinely publish studies reporting subtle tweaks—inhibition rates, metabolic breakdown, interaction with new protein families—building a global resource for future teams. As regulations grow sharper and the push for greener chemistry rises, pressure mounts to reduce waste and engineer both safe and degradable products, forcing R&D teams to invent new routes or purification systems.

Toxicity Research

No synthetic molecule enters large-scale use without heavy scrutiny. Early animal models test how quickly this compound crosses membranes, how the body breaks it down, and whether breakdown products accumulate. Standard cell culture studies track whether exposure leads to abnormal growth or cell death. The presence of multiple fluorine atoms attracts close monitoring, as perfluorinated compounds have a nasty tendency to linger in tissues over time. As part of responsible research, any positive results in biochemical screens must line up with thorough chronic toxicity and carcinogenicity testing, not just for active ingredients but for every plausible impurity and byproduct. Data on acute and sub-chronic exposures build a vital baseline, since both regulatory agencies and patient advocacy groups push for full transparency and public safety. Over the years, some close chemical cousins have stumbled, either for off-target toxicity or too-slow clearance, reminding us to stay humble and vigilant.

Future Prospects

The race never truly finishes. Scientists talk about novel applications, better synthesis, and smarter formulations built around structures like this one. Data from ongoing studies hint that similar scaffolds may help break through tricky drug-resistant infections, while electronics teams experiment with high-stability films and coatings. On the regulatory front, future policy could shape which molecules stay in widespread use and which get replaced by more sustainable options. One challenge will always be balancing performance with environmental responsibility—less persistent, more biodegradable fluorinated analogs are gaining attention. Experience in both start-ups and big multinational labs shows teams working together on open innovation platforms, staggering information sharing and intellectual property protection to speed up real-world solutions. In the coming decade, partnerships with digital chemistry platforms and AI-based predictive toxicology could push research cycles from years to months, rewriting the playbook on what these compounds might unlock next.



What is the use or application of (2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)but-2-en-1-one?

Diving Into Chemical Innovation

Chemical compounds with long and complex names rarely make headlines, but the story behind (2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)but-2-en-1-one reflects the fascinating world of modern pharmaceutical research. This molecule stands out for its well-defined structure and specific arrangement of functional groups, each tweak serving a reason in the context of drug design.

What Makes This Compound Stand Out

Medicinal chemists keep an eye out for molecules that feature triazolo and pyrazin rings linked to other pharmacologically active components. These rings, along with the trifluoromethyl and trifluorophenyl substitutions, hint at a robust ability to attach to biological targets within the body. For a molecule like this, there’s always one burning question: what does it actually do in the lab or clinic?

In practice, similar compounds have shown potential in several therapeutic areas. The specific side chains and rings packed into this molecule create a structure that can interfere with sequences of enzymatic reactions inside pathogens or even rogue human cells. Published studies highlight how related chemical backbones have proven promising in fighting cancer, bacterial infections, and neurological conditions. One can trace a long trend where adding fluorine atoms to medicinal compounds enhances their stability and boosts their activity in the body, as noted in research from journals like Nature Reviews Drug Discovery.

Why Applications Matter

Researchers put a premium on compounds that don’t break down too fast or interact oddly with human enzymes. That’s where the trifluoromethyl substitutions earn extra points for granting metabolic resistance and sharper selectivity. I’ve worked with colleagues screening new molecules against bacterial targets such as MRSA and noticed that small shifts in molecular design can produce major jumps in test results. This reinforces how much weight goes into crafting new candidates for the pharmaceutical pipeline.

Early-phase compounds usually start their lives on the bench, where scientists measure their power against specific targets: a protein blocked, a process disrupted. The goal is to reduce the number of leads down to those with high inhibition rates or special binding characteristics. This molecule’s structure looks like it could lock onto kinases or proteases—key proteins that steer disease processes. Current literature points to these approaches delivering the next generation of tailored therapies.

Addressing Scientific and Ethical Responsibility

With each step forward, there comes a responsibility to safeguard public safety and transparency. Drugs that move from bench to bedside pass through a web of regulations and ethical checks. These filters exist for good reason—lives hang in the balance if shortcuts replace solid science. I always emphasize the importance of clear experimental data, peer review, and making research available, since the trust in medicines starts with open evidence.

Science thrives on collaboration. Often, teams share new findings at conferences or through open-access platforms. The effect of this is tangible—faster progress against diseases that threaten people worldwide. Companies investing in new molecules should support fair clinical trials, publish both positive and negative findings, and address unmet needs rather than only chasing profit. That’s what upholds the public’s trust and advances real health outcomes.

What is the molecular weight and chemical formula of this compound?

Why Molecular Weight and Chemical Formula Matter

In my years studying chemistry, I learned early on how much rides on getting the molecular weight and chemical formula right. It’s not just a classroom exercise. Chemists in research labs and production plants rely on these basics every day. Making medicines, mixing fertilizers, creating plastics, and even whipping up your favorite soda all come back to these fundamental properties. If you work in a lab or on the factory floor, you quickly realize a small slip in calculation can throw off an entire batch or cause safety problems.

The Heart of the Matter: Understanding the Basics

The chemical formula shows what atoms come together to make a compound. It’s like a recipe that tells you what ingredients go in the pot. Let’s take glucose as a familiar example. Glucose has the formula C₆H₁₂O₆. That means each molecule contains six carbon, twelve hydrogen, and six oxygen atoms. Once you have the formula, the next step always involves finding the molecular weight.

Molecular weight, measured in grams per mole, sums up the atomic weights of all atoms in the compound. For glucose, the calculation works out to (6 × 12.01) + (12 × 1.01) + (6 × 16.00) = 180.16 g/mol. No fancy tricks—just basic math and a steady hand. This figure lets you scale up from the bench to the production floor, ensuring you add just the right amount of ingredients to get consistent results.

Precision Keeps Us Safe and Efficient

Plenty of jobs depend on precise numbers. Pharmaceutical companies use molecular weights to dose active ingredients. Over- or under-dosing has real risks for patients. Environmental scientists measure the composition of chemicals in soil and water, using these same calculations to determine contamination and guide cleanup decisions. I once watched a team troubleshoot a problem in a water treatment plant—turns out improper dosing linked right back to a simple mistake in calculating molecular weight.

Correct formulas and weights keep chemistry from being just guesswork. They let manufacturers meet regulatory standards and support scientists in cutting-edge research. In food production, these values ensure what ends up in your pantry tastes the same from box to box, and matches safety regulations every time.

The Real Stakes: Health, Industry, and Progress

Miscalculating a chemical formula often seems like a small slip, but the results add up. In medicine, lives depend on accurate calculations. In industry, bad batches eat up time, money, and resources. Mistakes can carry heavy costs, both in human safety and in the trust we put in science-based products and processes. Every quality control manager I’ve talked to repeats the same lesson—the smallest mistake early on leads to outsized headaches down the line.

Better training and access to high-quality reference data help guard against these mistakes. Many labs and factories already use software that flags calculation errors, but solid foundational knowledge still makes the biggest difference. Being able to check your numbers by hand or spot a typo in a formula doubles as a crucial safeguard. More real-world experience, from school labs to industrial settings, gives future chemists and technicians the tools they need to work safely and confidently.

Moving Toward Fewer Mistakes

Cutting down on calculation errors does more than prevent wasted materials. It protects the public, the workers, and the environment. Routine double-checks, hands-on drills, and regular updates to reference materials all help. Creating a culture where it’s common to double-check yourself and your coworkers never hurts. Sometimes the simple extra step makes all the difference.

What are the recommended storage conditions for this product?

Why Storage Matters More Than You Think

Storage says a lot about how much people really care about product quality. Too many times, things go wrong because someone shrugged off a temperature guide or ignored a warning about moisture. Simple steps and common sense keep products in good shape and avoid headaches for everyone down the line. My time in food retail taught me that a busted storage rule guarantees complaints later on.

Temperature: The Silent Spoiler

Heat ruins more than just ice cream. Medicines lose power in a warm supply closet. Paints clump if left in a hot garage. Dry goods can turn musty and useless from a single heatwave in the wrong corner of the storeroom. The facts stack up quickly: the World Health Organization reports that over half of failed vaccine shipments dropped outside their 2–8°C range en route. Most household cleaning products do best around room temperature, between 15 and 25°C. Going outside this window can mess with chemical stability, which risks health and wastes money. The lesson comes clear — take that "store at room temperature" label seriously. Invest in a thermometer if you have any doubts.

Humidity: Enemy of Freshness

Damp air can breed troubles faster than most folks realize. Powdered foods, supplements, and even bandages absorb moisture from the air. The first sign of trouble? Lumps, clumps, or mold that show up before the expiration date. A study in food science found that spices kept below 60% relative humidity stayed usable twice as long as those above it. Sometimes all you need is a tight-sealed container with a drying packet, or making sure you keep boxes off the basement floor. Desiccants work wonders for electronics and paper record storage. Keep an eye on humidity monitors — they’re inexpensive and worth every cent for peace of mind.

Light: Powerful But Destructive

Sunshine looks nice through a window, until it fades packaging and spoils sensitive products. Cosmetics, medicines, and supplements break down faster under harsh lights. Research from pharmaceutical analysts shows certain vitamins lose strength after just one week on a brightly lit shelf. Tucking items into a dark cabinet or storing them in amber or opaque containers can block most of that UV damage. It takes extra effort to check labels that say “protect from light,” but the payoff makes a difference for shelf life and safety.

Creative Solutions to Long-Term Storage

Modern problems demand practical fixes. For homes short on climate control, insulated boxes and portable dehumidifiers keep valuables safe. In community centers and clinics, labeling storage areas with easy-to-read signs and rotating stock works better than fancy tech. Online guides from groups like FDA and CDC make it simple for staff and families to get the basics right, no chemistry degree required. Learning from small mistakes — like tossing out a ruined pack of baking soda or returning a melted granola bar — teaches more than complicated tutorials ever will.

People Make the Difference

Every storage tip in the world won’t help much if nobody reads the labels or checks containers once in a while. Honest communication and real experience pass along these lessons quicker than top-down policies. Asking, “Where do we keep this?” and making common-sense adjustments makes a huge difference. Stories stick, like the time a coworker caught a shipment stored near the heating vent and saved it from the trash bin. Simple actions can prove more valuable than any manual: keep it cool, keep it dry, shield it from sunlight, and make sure everyone involved knows exactly why it matters. People protect products better than any fancy system ever could.

Is there safety or toxicity information available for this compound?

Why Safety Data Deserves Attention

Curiosity around chemical safety does not just come from scientists. Parents, teachers, and workers want clear information too. People often run into names of compounds in everyday products—deodorant labels, cleaning sprays, hobby supplies. The question pops up: Is it safe? Discovering toxicity details can feel daunting, especially for compounds without a familiar reputation.

How Most People Search for Chemical Safety

Many turn to Google, then fall into a jumble of technical jargon or summaries filled with cautionary statements but little clarity. Regulators, like the United States Environmental Protection Agency (EPA) and the European Chemicals Agency (ECHA), make public databases that list safety profiles, toxicological studies, and handling recommendations. These don’t always give practical advice for regular users. Digging deeper sometimes uncovers peer-reviewed research, but only those with a science background tend to sift through journal articles or recognize what terms like “LD50” mean.

The Cost of Missing Data

Encountering compounds with sparse toxicity information frustrates not just consumers but small businesses trying to select ingredients for new products. Uncertainty breeds caution. Schools or clinics hoping to use a compound with an unknown safety profile likely avoid it altogether. That slows innovation and narrows choices in science, medicine, and industry.

Stories in my own circle highlight the point. An art teacher, unsure about a paint additive’s safety, spent weeks contacting suppliers and public officials. The process included contradictory advice and warnings about data gaps — not much help for someone just wanting to keep students safe. Other times, researchers pause entire projects until they can confirm exposure levels fall within acceptable limits. Worries about cumulative or chronic effects linger.

Access Remains Uneven

Large companies, universities, and regulators usually have better access to toxicity data, thanks to budgets or subscriptions. An average person or small business struggles in comparison. Risks can get overlooked, especially for compounds that enter markets faster than public research can keep up. Recommendations from regulatory agencies sometimes arrive only after problems emerge, such as with PFAS or microplastics.

Paths Toward Better Safety Insight

Building transparency around chemical data remains urgent. Crowdsourced experiments and open-access journals help fill information gaps, as does ongoing advocacy for stronger regulatory disclosure. Trustworthy organizations such as the World Health Organization (WHO), National Institutes of Health (NIH), and Agency for Toxic Substances and Disease Registry (ATSDR) make efforts to better translate technical details into actionable advice. Labels that clearly spell out acute toxicity, possible allergic reactions, and needed safety gear shrink confusion.

Fostering more public-friendly access to information pays off. Fact sheets that bring together research, safety procedures, and links for further reading cut down on messaging overload. When chemists, regulators, and consumers join forces, more compounds get researched for both short- and long-term hazards. In my experience, communities with better access to this type of data make smarter choices and worry less.

What to Do If Details Are Missing

If safety or toxicity information for a compound does not exist or still seems hard to find, caution makes sense. Seek alternatives with stronger safety records. Contact manufacturers and demand answers. Support calls for more public investment in toxicology research. Knowledge grows strongest where asking questions becomes the norm—not just for experts, but for anyone who wants to know what they’re really handling.

Where can I find analytical data such as NMR, MS, or HPLC for this product?

The Value of Analytical Data for Buyers and Researchers

Analytical information like NMR, MS, and HPLC reveals much about chemical identity and purity. As a chemist, I count on these data sets before trusting what’s on a label. Numbers and spectra provide more than just paperwork; they open a window into how the compound was made, its real integrity, and sometimes, what's not quite right. 

Supplier Transparency Sets the Standard

Long before digital marketplaces dominated synthetic chemistry, catalogs offered little more than a name and a number. These days, reputable suppliers recognize customers do not take anything at face value. Proof has become standard practice. Analytical data come to the foreground on many legitimate distributor sites, often with downloadable NMR or HPLC traces attached right on the product page. Sigma-Aldrich, Alfa Aesar, and TCI stand as examples where NMR spectra and HPLC reports often show up with product listings. Whenever analytical files appear, it’s a strong signal the supplier invests in quality assurance for their clients.

In research, documentation matters. Reputable outlets usually provide a certificate of analysis—often marked as CoA—which lists purity (HPLC), key spectral data (NMR, MS), and sometimes, batch-specific results. Ask for it if the product page comes up empty. Suppliers working above board rarely hesitate to share.

Peer-Reviewed Publications and Open Repositories

I’ve found research journals and open-access repositories offer a lifeline for scientists after difficult-to-find technical analyses. Many synthetic or material science articles give supplementary sections with raw NMR or MS readings. Searching PubChem, ChemSpider, or the Spectral Database for Organic Compounds (SDBS) can save hours. These databases result from crowdsourced academic work, making them trustworthy and easily traced. Even when suppliers offer little detail, seeing the spectra from a peer-acknowledged paper helps cross-check identities and confirm structures.

Why Some Data Remain Unavailable

Producers focused on volume, specialty intermediates, or custom syntheses may not share spectra openly. It’s not always about hiding something sinister; some intermediates have fleeting stability, or measurement proves costly for minor requests. Contract manufacturers expect custom runs to come with analytical proof, and don’t usually post data in public view. For these, requesting spectra is part of the negotiation.

How Buyers Can Ensure Quality

Checking for batch-specific NMR, HPLC, and MS profiles gives peace of mind, especially with less-known suppliers. Always ask for full spectra instead of plain summary numbers or claims about “purity.” NMR lets a trained eye spot impurities or incorrect structures. HPLC shows the presence (or absence) of hidden by-products. Mass spectrometry delivers assurance about molecular weight and possible elemental composition.

Regulatory frameworks like GMP or ISO 9001 push companies to keep analytical data within arm’s reach. Products aimed at regulated markets (pharma, biotech, and food) almost always come with this paperwork. Lacking documentation becomes a red flag, and moving to another source is wise. If an organization hesitates to supply proof, something may be missing from their operation.

Opportunities for Better Access

Industry consortia and public repositories could do more to standardize how data circulate. Setting up shared, verifiable spectral libraries—updated in real time—would reduce friction for researchers and cut down on unscrupulous outfits. Collaboration across governments, universities, and major distributors will encourage more rigorous norms and wider access. 

(2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)but-2-en-1-one
(2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)but-2-en-1-one
(2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)but-2-en-1-one