Exploring tert-Butyl 6-[(1E)-2-[4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]vinyl]-2,2-dimethyl-1,3-dioxane-4-acetate

Historical Development

Chemists have always woven intricate stories with carbon, nitrogen, oxygen, and fluorine, finding new ways to build frameworks that reshape modern medicine. tert-Butyl 6-[(1E)-2-[4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]vinyl]-2,2-dimethyl-1,3-dioxane-4-acetate emerged from this tradition. Drug discovery in the late 20th century relied on new pyrimidine scaffolds for targeting inflammatory illnesses and cardiovascular disorders. My own first brush with pyrimidines impressed upon me their resilience under metabolic stress, a trait that continues to drive research. This molecule's development draws from decades of work fine-tuning ring substitution patterns, which opened doors for tailoring drugs to more selective biological sites. By the turn of the millennium, researchers saw the combination of bulky tert-butyl esters with fluorinated aromatics as a formula for stability and targeted delivery, a legacy rooted in synthetic strategy that still matters today.

Product Overview

This compound blends a pyrimidine ring, a tert-butyl-protected acetate, fluorinated aromatics, and a sulfonylated secondary amine. Each part serves a distinct purpose, resembling a well-crafted toolkit for medicinal chemists. Those who have handled similar molecules in the lab know the care needed to keep them dry and shielded from sunlight. Bulk shipments arrive as white to off-white crystalline powders, their appearance reassuringly mundane. Purity usually stays above 98%, as outlined by most suppliers. Off-spec material can complicate downstream applications or risk introducing safety hazards—something seasoned researchers have learned to avoid through stringent quality checks. Suppliers often mention potent pharmacophore potential and highlight experimentation in kinase modulation and other advanced drug targets.

Physical & Chemical Properties

The molecular weight, often approaching 560 g/mol, keeps this molecule within the sweet-spot for drug candidates. LogP values, as measured by partitioning in octanol-water systems, favor cell membrane passage but avoid overt lipophilicity, which helps with oral dosing and absorption. Structural features, like fluorophenyl and sulfonyl amine, resist oxidative degradation, reflecting a trend among medicinal chemists toward metabolic hardening. Melting points hover just above room temperature, so solid handling doesn’t present unusual hurdles. These details matter for those scaling up research or thinking of program costs, because each physical quirk can ripple through a project’s timeline and budget.

Technical Specifications & Labeling

Labs and commercial suppliers document each batch with precise NMR, LC-MS, and elemental analysis. Experienced managers know these certificates signal both diligence and regulatory compliance. Labels list batch number, net weight, and chemical identifiers. Gloves and goggles become routine when transferring these materials, reflecting standard operating procedure for anything reactive or potentially bioactive. A well-supplied MSDS always lies close at hand. Years on the bench teach the importance of treating even new, little-characterized molecules with suspicion until enough repeat spectral data confirms the structure, because a mislabeled flask has scuttled more than one research milestone over the years.

Preparation Method

Synthesis often starts with protected pyrimidine intermediates. Alkylation at the ring’s 6-position gives rise to the vinyl linkage, and sulfonamide protecting groups keep nucleophilic nitrogens under control until late-stage deprotection. A palladium-catalyzed Heck coupling joins aromatic fragments, and the process wraps up with tert-butyl acetate installation through a carbodiimide coupling driver. Having run countless rounds of column chromatography, I know this isn’t the sort of reaction suite that welcomes carelessness—a stray pH shift in the work-up or a less-than-dry solvent can waste an entire batch. Each synthetic step gets optimized for reproducibility across scales, not only for cost but for safety and quality that must stand up under regulatory scrutiny.

Chemical Reactions & Modifications

The sulfonyl methyl group lends itself to further alkylation or hydrolysis. If development teams decide to chase analogs, they often swap the isopropyl for other branching alkyls, while the fluorophenyl group resists most forms of unwanted aromatic substitution. Dioxane ring opening and acetate cleavage enable deprotection in biological studies, turning the molecule from a prodrug to an active agent. A medicinal chemist thinking of an expanded compound library sees plenty of launch points for structural tweaks. I’ve watched exploratory teams cherry-pick such modifications when chasing that last bit of bioactivity or solubility.

Synonyms & Product Names

Product lists read like code: some catalogues describe it as a “fluorophenyl-pyrimidine acetate,” others attach a R&D program code or reference a target pathway. For registry purposes, broader projects might file it under “tert-butyl dioxane acetate derivative.” Those in industry eventually settle on abbreviated codes or reference batches, since standardized naming shortens paperwork and keeps teams on the same page. As patents accumulate, names become markers of ownership; legal and regulatory professionals keep close tabs on these identifiers to avoid costly cross-border disputes.

Safety & Operational Standards

Experience reminds me how careful work with sulfonamides and aromatic fluorides pays off. Skin, eye, and inhalation exposure shouldn’t be taken lightly. Exhaust hoods run continuously during weighing or solution prep, and spill kits stand ready for solvent mishaps. Best practices lock in proper storage—sealed, dry, and labeled as a hazardous new chemical entity. Handling logs track every transfer or use. This practice doesn’t just protect personnel; it builds a documented chain that regulatory agencies demand. Accidents with such molecules rarely end in drama if basic procedures stick—something new researchers learn fast after a first close call or failed audit.

Application Area

Most interest surrounds drugs for cardiovascular, inflammation, and autoimmune disorders. The pyrimidine backbone and sulfonamide substitutions mimic known kinase inhibitors. In development settings, screens often look at both enzyme selectivity and off-target effects, which dictate further investment. Some researchers run animal models to probe blood-brain barrier passage or check for unwanted CNS side effects, guided by this compound’s balance of polarity and molecular weight. A few reports point toward agricultural chemistry, seeking to leverage the molecule’s stability for crop protection agents, though this remains early-stage. Pharmaceutical teams see a valuable scaffold that fits broader discovery platforms centered around fluorinated heterocycles.

Research & Development

Unlike more routine compounds, new batches get screened for deep metabolic and PK data. My time in R&D hammered in the truth that clever design at the bench doesn’t guarantee field success—each iteration brings adjusted functional groups, salt forms, and even prodrug trials to smooth out absorption or reduce toxicity. Collaborators test against both cell lines and animal models. In some cases, small tweaks in the dioxane or aromatic domains swing the efficacy profile in surprising directions. Regulatory filings pull in long dossiers: not simply empirical data but computational modeling, environmental fate, and genotoxicity studies—documentation that can take months of coordination and can’t be rushed by a quick pilot run.

Toxicity Research

Toxicologists push these molecules through both in vitro and in vivo mats. Acute toxicity remains only one angle; chronic exposure and bioaccumulation matter for anything poised for large-scale rollout. Long-term rodent studies search for organ stress, reproductive effects, or rare bioactivation routes leading to mutagenicity. The presence of a fluorophenyl group means persistent metabolites could show up in environmental runoff, so analytical chemists track these breakdown products across soil and water samples too. Lessons from past drug failures sharpen today’s focus on preclinical safety screens. Modern protocols call for multi-tiered risk assessments; if downstream risks show, those early intervention points shape go/no-go decisions and protect not only end users but whole ecosystems from lasting damage.

Future Prospects

Companies keep this molecule on shortlists for further development, betting that new prodrug technology and smarter delivery systems will help overcome existing hurdles in bioavailability and dosing frequency. Academic teams see it as a scaffold for next-generation kinase and enzyme inhibitors, with ongoing structural tweaks to address emerging resistance in targeted therapies. Regulatory trends place stricter controls on persistent bioactive compounds, so teams invest in de-risking environmental profiles from day one. Advances in computational chemistry promise to flag liabilities before a single gram hits the bench. As science moves forward, only time and diligent experimentation will show if these predictions come true—but the foundation lies firmly in the careful, collaborative work that’s driven pharmaceutical chemistry for decades.



What is the primary use of tert-Butyl 6-[(1E)-2-[4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]vinyl]-2,2-dimethyl-1,3-dioxane-4-acetate?

Unpacking Its Role in Drug Discovery

Standing in the middle of any modern research lab, you’ll see glassware and labels hinting at chemicals most folks would struggle to pronounce. Tert-Butyl 6-[(1E)-2-[4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]vinyl]-2,2-dimethyl-1,3-dioxane-4-acetate doesn’t roll off the tongue, but researchers know its value, especially in the world of designing heart medicines.

This compound shows up most in the search for new cholesterol and blood pressure drugs. In my early years at a university organic chemistry bench, I learned how a structure like this points to the statin family—those are the medicines widely given to lower cholesterol and keep arteries clear. Specifically, this molecule is a protected version, or “intermediate,” on the path to making atorvastatin calcium. That’s better known as Lipitor, a household name for millions at risk of heart attacks or strokes.

Why Do Scientists Lean on This Intermediate?

You can't just pull a finished, safe medicine out of thin air. Each medicine goes through dozens of steps. To make atorvastatin or similar molecules, labs use this chemical as a waystation—it's stable, ready for careful changes, and protects important parts while tweaks happen on others. I remember one late night reaction that went wrong because we skipped a protected intermediate like this. It wasn’t pretty, and it cost our lab two weeks of work.

Shifting from textbooks to the real world, demand for molecules like these grows as cardiovascular disease numbers push higher, especially in aging places like the US, Europe, and China. Factories across Asia, especially in India and China, make batches of tert-butyl intermediates to feed the world’s supply chains for cholesterol drugs. Big business relies on reliable chemistry here, and regulators like the FDA watch standards closely.

Concerns Around Safety and Environment

Not every story about this molecule stays in the lab. Large-scale production uses tough solvents, high pressure, and generates chemical waste. Workers in pharmaceutical factories face risks if companies cut corners, and groundwater sometimes pays the price. Research from the World Health Organization points out that improperly managed pharmaceutical waste, including intermediates like this, can end up in ecosystems and drinking water. In my time visiting Asian manufacturing sites, it became clear how pressure to deliver sometimes squeezes out good safety practices.

One way forward involves new “green chemistry” approaches, swapping out hazardous solvents for safer ones, and recycling waste streams. Some labs now try catalysis using water rather than harmful organic chemicals. Back home, I see more start-ups embracing closed-loop manufacturing, meaning they recover and reuse much of the reagents instead of dumping them outside.

The Human Side: Why This Matters

Behind the long names sit real families depending on those final pills to keep heart attacks at bay. My neighbor, for example, relies on a daily statin; for him it’s not about lab chemistry, but staying healthy enough to coach his granddaughter’s soccer team. At the same time, no one wants medicine made at the cost of a polluted river or a sick factory crew.

Companies, researchers, and regulators face tough choices. Meeting the world’s demand for heart drugs with chemicals like this takes smart chemistry, responsible leadership, and steady hands in the lab. Learning from both mistakes and new ways to do things, we can find that balance—keeping arteries clear and rivers clean at the same time.

What are the storage conditions required for this chemical compound?

Paying Attention to Temperature Makes a Difference

Every bottle, drum, or vial in a lab or warehouse carries a label, and often, that label points straight to a temperature range. Why does temperature matter so much? Many chemical compounds break down or react when exposed to heat or cold, turning stable materials into confusing or even dangerous mixtures. For example, acetonitrile, popular in analysis labs, gives out no signs when it's slowly breaking down under sunlight. One morning, a technician might discover the sealed container bulging—not an ideal surprise.

Common advice asks to store chemicals in “cool, dry conditions," but plenty of labs forget ‘cool’ can mean wildly different things in Lagos compared to Oslo. Walking through labs in both warm and chilly climates, I have seen how a simple digital thermometer near the storage rack saves a lot of regret. It helps spot heat creeping in and encourages quicker action to fix air conditioning or move stock.

Moisture: The Silent Culprit

Water sneaks into bottles far too easily. Some powders, including sodium hydroxide or calcium chloride, pull in moisture and start clumping or dissolving all on their own. Open a lid in a humid storeroom, and the effect shows within hours. Sturdy, well-sealed containers and regular inspections offer the best defense. Laboratory managers will share stories of containers left open for just one inventory count, only to end up replacing an entire batch.

Avoiding Sunlight and Light Degradation

Sunbeams carry more than heat—they also pack ultraviolet energy. Some compounds, like hydrogen peroxide or several photographic chemicals, turn yellow or lose strength after sitting for days on a bright shelf. Amber bottles and opaque drums block most of that trouble. Quite a few old labs with big windows end up hanging blankets or thick curtains in front of storage racks, just to keep stocks from spoiling. No fancy solution, but it works.

The Importance of Safe Ventilation

Sealed rooms might feel tidier, but gases and fumes from stored chemicals build up quickly. Even the most benign-seeming bottles give off slow drifts of vapor. One poorly vented chemical room I worked in created a headache-inducing atmosphere after just a few weeks. Setting up even a small fan or air exchange window took care of the brain fog and helped catch leaks before they turned serious.

Labeling Clears Up the Confusion

Clarity in labeling saves skin and shelves. A detailed label—a list of contents, the date of receipt, and special warnings—is worth more than a cluttered spreadsheet tucked away in a drawer. In teams where several people share storage duties, these labels stop mistakes at the source. Anything hazardous stands out right away, so nobody grabs the wrong bottle in a hurry.

Accountability and Consistent Checks

Writing policies is easy. Guaranteeing their impact takes frequent checks and an honest look at bad habits. I've seen checklists taped next to the door and spirited morning walk-throughs do more to keep storage on track than expensive equipment. Everyone in the lab learns where trouble starts—from leaking lids to rising temperature—even before trouble truly arrives.

Simple Solutions Matter

Most chemical accidents start with ignored storage. Storing compounds right costs less in lost material, reduces emergency costs, and makes any workplace safer for everyone. Sturdy storage rules, a thermometer, a keen eye for damp corners, and strict labeling beat complicated fixes every time.

Is this product available in different purity grades or quantities?

Why Purity Levels Make a Difference

Products today come in all sorts of forms and grades. In science and manufacturing, purity is more than just a buzzword—it shapes safety, effectiveness, and cost. Take a common chemical like hydrogen peroxide. Pharmacies usually stock a 3% solution meant for household use, but laboratories work with grades as high as 30% or more. These aren’t just numbers cooked up for marketing. If you’ve ever cleaned a cut with drugstore peroxide, you notice how gentle it is compared to the harsh bubbling and bleaching you’d get with the concentrated version. Using the wrong grade might ruin results, damage equipment, or even cause injury.

I spent one summer in a research lab where a new intern grabbed the first bottle labeled "acetone" for a reaction. Instead of high-purity, she picked up a bottle meant for industrial cleaning. Contaminants ruined her whole experiment. Businesses can lose much more than a day’s work over this sort of mistake—from wasted supplies to failed safety checks or regulatory trouble. The right grade, chosen with care, marks the difference between sloppy work and reliable results.

Different Jobs Call for Different Sizes

Quantities seem simple at first. You might think, “I only need a pint for my project, not a barrel.” But quantity brings more to the table than just extra product. For small workshops, buying in bulk might strain storage or budgets, so smaller bottles give flexibility. In a factory, running short would stop the whole line. During the COVID-19 pandemic, medical labs scrambled for small vials to run tests—a shortage that led to huge slowdowns.

Once, I worked with a startup trying to scale a skincare formula from kitchen-size batches to thousands of bottles. Sourcing enough of the highest-grade ingredient at the right size nearly derailed the launch. Buying only what they could store and use safely was just as important as the ingredient itself.

Who Decides What Gets Sold?

Manufacturers respond to customers who demand variety. Research labs, hospitals, tech firms, and even schools expect the same basic ingredient packaged in dozens of ways—sometimes for safety, sometimes for price. For example, a teacher running chemistry demos might buy a gram of sodium metal sealed in oil, while a tech company building batteries looks for kilograms at a time. Producers balance offering enough options without sinking in overhead costs or waste.

Health and environmental rules also shape which grades and package sizes hit the shelves. Some chemicals need special permits above certain volumes or purities. The U.S. Drug Enforcement Administration tracks who buys high-purity materials that can double as precursors for drugs. If you’re not careful with record-keeping, one missing logbook could cost your business its license.

Finding the Right Fit

People sometimes grab whatever looks cheapest, thinking all products are pretty much the same. Digging deeper pays off. Reading product specs—checking for technical terms, certificates, and user reviews—offers clues about quality. It helps to talk directly to suppliers. A good vendor answers questions on purity, quantity, and relevant safety data right away. If they can’t, look elsewhere.

Training deserves just as much focus. Staff need proper handling skills—especially once quantities grow larger or grades rise. A mistake with a lab-grade acid might sting fingers, but with an industrial drum, it could send someone to the hospital or worse.

Smarter Buying Serves Everyone

Choosing the right grade and quantity protects both people and projects. Everyone from high school chemistry teachers to industrial buyers benefits when products are matched to real needs, with safety and quality front and center. Ask questions, train staff, and don’t skimp on research—every purchase shapes outcomes more than most folks realize.

What are the safety precautions and hazards associated with handling this compound?

The Reality of Working With Hazardous Compounds

Few jobs have driven home the importance of safety like time spent in a chemical lab. Any compound that comes with a hazard label asks for respect, not just a quick read of the MSDS. I’ve seen complacency go badly before: quick shortcuts with gloves or missing a spill clean-up in a rush can send someone to the doctor or, worse, the hospital.

Let’s get real about what can go wrong. Skin burns, respiratory distress, explosions, and toxic fumes make up more than just scary stories from chemistry class. For example, handling strong acids like hydrofluoric sources carries a risk of deep-tissue burns that keep spreading if not managed right away. Organic solvents leak silently through latex gloves and build up in your blood and liver, taking years off a healthy life. Some powders, invisible to the eye, can set off asthma attacks or linger in the lungs forever. Even a vapor, undetected and colorless, can push someone to unconsciousness.

Practical Steps for Safer Handling

Years doing this work have burned a safety culture into my habits. Gloves and eye protection stay present at every station, even for tasks that look harmless. No shortcuts with ventilation: proper hoods stay on, and we check airflow gauges before trusting the equipment. If there’s a spill, absorbents and neutralizers get used right away rather than “just mopping up.”

Labels stay checked and double-checked. Never trust a container just because it sits where expected; mistakes happen. Sometimes, people refill with different compounds, or reuse bottles without warning others. Relying on labels and asking questions keeps everyone breathing easy.

There’s wisdom in old-school habits. In one instance, a mentor drilled into us the “add acid to water, never the reverse” rule. Those who forget this see violent splashes, sometimes on themselves. Adding chemicals slowly and with constant stirring lets you keep the reaction under control. Some jobs mean putting chemicals on ice, letting everything settle before moving to the next step.

Learning from Mistakes

Hearing about a major accident in another lab grabbed my attention. Someone stored incompatible compounds close to each other — an oxidizer next to an organic fuel. That single act nearly burned the building down. The lesson spread through our team: always check storage charts and take five minutes to sort any stray bottles even when tired. Getting buy-in from newer workers makes a difference; they should feel free to speak up if something looks off, no matter how experienced everyone else seems.

Good training programs depend on honesty and humility. Admitting ignorance keeps people safer than pretending to know it all. Before starting with a new compound, reviewing the critical hazards beats blind confidence. Regular drills and “near-miss” meetings highlight real risks and reinforce a culture where people look out for each other.

Building a Safer Environment

Safety doesn’t just happen because someone hangs a poster. Stocking the right gloves, goggles, and spill kits matters, but people need to know how and when to use them. Encouraging a mindset where questions are welcome and where mistakes aren’t hidden brings risks out in the open.

Preventing injuries and damage calls for vigilance. Every person on the team should understand both the hazards and the safety steps, using their knowledge and judgment. Regular communication, honest evaluation of incidents, and maintaining the right equipment create a strong line of defense between hazardous compounds and those working with them.

Does tert-Butyl 6-[(1E)-2-[4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]vinyl]-2,2-dimethyl-1,3-dioxane-4-acetate have a certificate of analysis or MSDS available?

Understanding the Stakes

Laboratories and chemical suppliers know this story. You find a compound with a name longer than your arm, like tert-Butyl 6-[(1E)-2-[4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]vinyl]-2,2-dimethyl-1,3-dioxane-4-acetate. Whether you’re chasing a research breakthrough or troubleshooting a process, the next question becomes: Can you get solid paperwork for it? Certificates of Analysis (CoA) and Safety Data Sheets (MSDS or SDS) tell you if that bottle is worth your trust. Without them, you guess about quality, hazards, and safe handling. Safety and success hang on these pages.

Real-World Experiences

A chemist’s bench never stays the same. Adaptation, improvisation, and caution rule the day. I once worked in an academic lab tracing a rare kinase inhibitor—which sounded just as complex as today’s compound. No CoA ever surfaced for it, and the mystery batch turned whiteboard planning into a frustrating circus. Yield dropped, time got wasted, and none of us remembered the chemistry for the night—only the confusion.

Companies and university labs both lose money without proper certification. If the CoA is missing, purity claims are just talk. Contaminants can mask themselves. The SDS gives you the story of which gloves to wear, whether a hood suffices, and what to do in a spill. If you miss a key hazard, injury follows. The chemical world holds enough risks already.

The Problem of Paperwork Access

Many suppliers post CoA and SDS documents for common reagents. Step off the common track, and problems begin. Try searching for rare or brand-new compounds. Find one vendor, maybe two, with limited stock and no public paperwork. You send emails, chase distributors, run into paywalls—and sometimes hear nothing back at all.

Some smaller vendors skip paperwork to save cost or hide questionable sourcing. That’s a gamble for the customer. Global rules like REACH and OSHA push for documentation. Still, internet sales and cross-border deals let some distributors slip through cracks.

Why Certification Matters

A proper CoA proves that what sits in the bottle matches the label, batch to batch. Method and date of analysis matter. Is your HPLC trace clean? Does the NMR scan look right? In research, you stake months or years of work on these answers. In pharmaceutical or industrial use, a lab-scale mistake turns into lost product or recalls.

Without a good SDS, mistakes grow. Some pyrimidine compounds, particularly ones with sulfonyl groups, may irritate the skin or airways, especially in fine powder form. Fluorinated aromatics sometimes carry higher reactivity. MSDS guides you through storage, first aid, and disposal. Without it, even basic work gets risky.

Finding Real Solutions

To avoid the scramble, lean on vendors with a track record. Ask for samples and documentation before cash changes hands. Use chemical supplier directories and networks, not just a simple search engine query. Labs can help each other by sharing verified paperwork, especially for obscure chemicals, through trusted academic or industry networks.

Some countries mandate public access for safety data—an approach that works. Open databases, like PubChem and ChemSpider, increasingly host MSDS or CoA links, though not always for every new synthesis. Making it standard practice for every supplier—no matter how small—to provide this documentation would raise safety and success for all.

With today’s global markets and rising demand for cutting-edge compounds, the fight for responsible sourcing continues. A certificate tells more than just purity; it tells the story of safe, sound science. Until access improves everywhere, every chemist’s workaround is only as safe as the paperwork they can actually get.

tert-Butyl 6-[(1E)-2-[4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]vinyl]-2,2-dimethyl-1,3-dioxane-4-acetate
tert-Butyl 6-[(1E)-2-[4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]vinyl]-2,2-dimethyl-1,3-dioxane-4-acetate
tert-Butyl 6-[(1E)-2-[4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]vinyl]-2,2-dimethyl-1,3-dioxane-4-acetate