(5S,6S,9R)-6-(2,3-Difluorophenyl)-9-((triisopropylsilyl)oxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-one: Insights and Commentary

Historical Development

Chemists have always chased after structures that can push drug discovery or move material science to a new level. This is true for (5S,6S,9R)-6-(2,3-Difluorophenyl)-9-((triisopropylsilyl)oxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-one, too. The backbone draws on decades of fine-tuning both aromatic substitution and heterocycle modification. A handful of breakthrough fluorination protocols in the '90s set the stage for installing those two fluorines on the phenyl ring, boosting both the molecule’s chemical stability and its metabolic profile. Fluorinated arenes have quietly reshaped the pipeline for new drugs and advanced functional materials in labs across the globe. In the early 2000s, adding silyl groups, especially the large triisopropylsilyl variant, gained favor because it made molecules more resistant to breakdown and improved solubility for handling. Synthetic organic teams had to build new routes, often using asymmetric catalysis or chiral auxiliaries to lock in those tricky stereocenters at the five, six, and nine positions—no small feat. That lineage means this molecule doesn’t just come from a vacuum but stands on the stories of trial-and-error chemistry, from bench scientists who learned to sweat the details during every reaction step.

Product Overview

The full name of this compound reads like a tongue-twister to anyone outside chemistry. Boiled down, this is a multi-functional heterocycle, shaped by three chiral centers, a fluorinated aromatic ring, and a robust silyl ether capping a nitrogen-containing ring. It’s not made just for elegance on paper. Structures like this tend to turn heads in medicinal chemistry circles. That silyl ether group isn’t just there for fun; it offers protection during certain synthetic steps, lets chemists test how rugged or tweakable the core framework might be, and sometimes even affects biological uptake. The difluorophenyl wing often acts like a shield, lessening enzymatic attack in the body or opening up new ways to interact with protein targets. Over the past few years, similar ring systems have found their way into patents for kinase inhibitors, neurochemical probes, and even as starting points for catalysts.

Physical & Chemical Properties

This compound’s solid form tends to crystallize with the density expected for a heavily substituted, oxygen-protected ring system. It clocks in with higher molecular weight than typical bicyclic analogs, due both to those triisopropyl silyl arms and the pair of fluorines. The difluorophenyl group has a sharp NMR signature—those aromatic protons split and drift, often helping chemists assign peaks with less ambiguity, a big relief during purity checks. A key feature comes from the silyl ether itself. This group lifts the melting point well above ambient, keeping the molecule from going sticky or volatile in storage. Longevity under ambient moisture is decent—as long as it’s kept from strong acid or base. Silyl ethers can pop off if you’re not careful, so storage with desiccants or under argon stays common lab practice. The molecule resists many common oxidants but really doesn’t like strong Lewis acids or fluoride ions; either will strip off the silyl group fast and leave the core ring exposed.

Technical Specifications & Labeling

Label accuracy for specialized chemicals often separates reliable suppliers from the rest. I’ve seen research set back by mislabeled stereoisomers or misleading purity claims. High-end vendors, especially anyone selling this molecule into drug or diagnostic pipelines, offer certificates of analysis that map out stereochemistry, physical properties, and spectroscopic data (NMR, IR, MS) in detail. For a compound like this, infrared spectra highlight both the silyl C–O stretch and C–F bending, while NMR makes or breaks assignment of the S,S,R configuration. Storage guidelines print right on the bottle, usually calling for a cool, dry place out of direct light. Packaged often in amber vials, sometimes under nitrogen or argon. Quantity labels matter too—parts per milligram count, especially for pilot-phase or animal model work, where cost and waste both count.

Preparation Method

The road to this complex structure asks for patience and sharp technique. Most syntheses set off by building the cyclohepta[b]pyridin-5-one core from protected aminocycloheptanones through a series of condensation and cyclization steps. After prepping the ring, the difluorophenyl appendage goes on using Suzuki-type coupling, picking palladium catalysts that preserve chirality. Installing the TIPS group (that’s the triisopropylsilyl ether) uses silyl chloride and a base like imidazole, and timing matters. If you rush purification or let water seep into the workup, that silyl capping drops right off. The last stretches of synthetic work demand chiral HPLC—no one wants a bucket of racemized product after that much labor. Experienced chemists sometimes opt for chiral auxiliaries from the start, trimming the need for expensive separation later. Whether made on gram scale or in process batches, care at each step keeps costs from ballooning and yields high enough for real-world application.

Chemical Reactions & Modifications

One thing I learned early: chemists love a versatile scaffold. This molecule stands up to mild modifications. The fluorophenyl group handles many cross-couplings without decomposing; some researchers substitute the TIPS ether for other silyl variants, testing which works best for downstream chemistry. Acid- or fluoride-mediated desilylation steps regenerate the free hydroxyl for further functionalization. Late-stage functionalization offers a path to analog libraries—Buchwald-Hartwig couplings can swap out neighboring aryl residues, or other electrophilic aromatic substitutions can tap into the electron-rich ring positions. The structure even allows gentle oxidations or nucleophile additions on the core ring, targeting future medicinal analogs. In catalysis, the silyl ether protects during harsh reactions, then slips off when needed, making this structure an able workhorse.

Synonyms & Product Names

Specialty compounds rarely go by a single name in publication or industry. Some literature condenses this mouthful to cycloheptapyridinone-TIPS or simply refers to it by catalogue code or internal compound number (e.g., “TIPS-6,7,8,9-TH-DFP-cyclop” in company shorthand). Certain vendors market variants under project nicknames linked to their line of kinase inhibitors, while academic circles might abbreviate it for clarity in multi-step synthetic schemes. These aliases can cause confusion in fast-paced collaborations, so I make a habit of double-checking registry numbers and detailed descriptors when moving between labs or supplier lists.

Safety & Operational Standards

No new chemical comes without a safety check. Silyl-protected systems need careful handling. Dust off the gloves and safety glasses, because TIPS ethers can irritate the skin or eyes, and any accidental acid exposure makes things worse by converting them into more reactive species. Volatile byproducts during workup demand a fume hood. Documentation stresses avoiding contact with acids, bases, and high heat, since all three can break the molecule or float off pieces you’d rather keep. Much of the operational guidance comes from years in graduate labs—clear labeling, separate storage for acids and organosilicon strains, and solid waste protocols for leftover fluorinated aromatics. In larger scale-up settings, spill drills come with real teeth: teams rehearse neutralization for accidental acid or base contact, and local waste collection avoids mixing with incompatible materials. Safety data sheets detail long-term exposure risks and recommend strict handling for any scale above microgram work.

Application Area

Chemists see value in ring systems like this for a reason. Pharmaceutical groups chase stability and selective biological binding in their leads; this compound’s dual fluorine and silyl ether combo ticks both boxes. Structural docking models for new drugs suggest that the shape and electron pattern of this ring scaffold can slip into hard-to-target enzyme pockets or disrupt disease-related protein complexes. Academics probing central nervous system pathways see the possibilities for neuroreceptor modulation, thanks to both the aromatic surface and protective silyl group sidestepping early metabolic breakdown. Even material scientists eye these heterocycles for thin-film assembly or as blocks in organic electronics, where fluorine adds both hydrophobic and electronic control. Engineers working on sensors or advanced coatings sometimes reach for such N-containing ring systems, swapping out silyl permutations to fine-tune physical properties.

Research & Development

Within R&D circles, structures like this one often set off long rounds of SAR—structure-activity relationship—studies. Project chemists tinker with side-chains and substitutions on the ring, measuring tweaks in solubility, stability, and target binding. Smartphones full of whiteboard photos tell the story: each variation matters for bioavailability or shelf life. Research groups document how triisopropylsilyl versus smaller silyl groups influence each step, sometimes discovering a surprise stability bonus or a mysterious drop-off in biological effect. In cross-disciplinary teams, the compound may step outside pure drug discovery to help probe enzyme function or act as a reactant checkpoint in late-stage synthesis screening. The molecule’s synthon value stretches beyond direct application; it often serves as an intermediate in longer synthetic cascades leading to new patent filings. Reference data, from x-ray to microscale bioassays, build up as each group logs progress, sharpening protocols for the next wave of analogs.

Toxicity Research

No one turns a new chemical loose without understanding the dark side. Early screens look at acute exposure in cell lines, checking for signs that silyl protection lessens off-target reactivity. Animal models usually come next, mapping out distribution, metabolic shunting, and slow-release breakdown across liver and kidney tissues. The difluoro motif sometimes delays oxidative metabolism, creating a double-edged sword: good for lasting activity, riskier for bioaccumulation beyond safe washout. Toxicology teams focus on the breakdown products—if the silyl ether comes off, what happens to the naked hydroxy analog? Some studies chase after mutagenicity risks in related ring systems, especially since nitrogen heterocycles can surprise with off-target DNA stacking. Regulatory advice still leans conservative here, limiting use to bench or pilot-scale until more long-term data arrives.

Future Prospects

Looking at the road ahead, the complexity and flexibility of this molecule keep options open. Medicinal chemists see scaffolds like this as a way station to unexplored drug classes, especially where fluorinated aromatics and rugged silyl protections match up with tough biological targets. With green chemistry’s push to reduce toxic reagents and simplify workup, future modifications likely swap in more benign coupling methods or recyclable silyl agents. Cross-disciplinary teams may adapt the core backbone for designer materials—think smarter polymers, or reinforced coatings for harsh environments. Digital modeling will shave years off development cycles, with AI predicting new bioactive analogs based on real-world synthetic tweaks. As more labs publish data on toxicity, stability, and downstream reactivity, a clearer picture will build around the structure’s most promising avenues, whether as drug, diagnostic tool, or advanced industrial material.



What is the chemical structure of (5S,6S,9R)-6-(2,3-Difluorophenyl)-9-((triisopropylsilyl)oxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-one?

Cracking Open the Chemistry

Looking at a compound with a name like (5S,6S,9R)-6-(2,3-Difluorophenyl)-9-((triisopropylsilyl)oxy)-6,7,8,9-tetrahydro-5H-cycloheptapyridin-5-one

Structure with a Purpose

The backbone of this compound draws from a heptacyclic system fused with a pyridine core. Right away, pyridine-based scaffolds have caught my attention in published research because they keep turning up in treatments for inflammation, viral infections, even neurological disorders. The tetrahydro-cyclohepta structure isn’t just for show, either. This saturated ring system can bend and flex in ways flat rings can’t, and that’s often key when a molecule needs to thread itself into a snug protein binding pocket. The backbone’s translation into a real three-dimensional shape is what makes or breaks activity in pharmaceutical settings.

Adding a difluorophenyl ring turns up the molecular “dial.” Incorporating fluorine changes the electron cloud, boosting stability and increasing the odds that a molecule will survive the gauntlet of metabolism in the body. Many blockbuster drugs feature one or more fluorine atoms, and for good reason: their presence can make a candidate molecule last longer in the blood, reach the right site of action, or dodge destruction by liver enzymes.

Strengthening Through Siloxy

Now, the silyl ether at position 9—specifically, the triisopropylsilyl (TIPS) group—shows the hand of chemists thinking ahead. TIPS is bulky and tough. I remember the first time I tried to remove a TIPS group, and then realized just how stubborn they can be compared to smaller silyl groups. In real-world synthesis, protecting groups like TIPS keep certain positions shielded from harsh reagents. This buys time to stitch other pieces into place, making complex and precise modifications possible. Once the target is ready, the TIPS group comes off with the right trigger, and the final molecule shines through.

Resourceful Design for a Real Need

Any molecule so carefully decorated with fluorines and protective groups likely carries an important mission. Pharmaceutical teams design these structures to survive lab tests, animal studies, or the mad dash through metabolic pathways in the human body. Whether the ultimate goal involves blocking a rogue enzyme, swinging open an ion channel, or silencing an overactive receptor, the molecular structure reveals a relentless push toward better, safer, and more targeted therapies.

Solutions Shaped by Organic Chemistry

Years of lab work have shown me that every successful molecule travels a bumpy road from whiteboard sketch to real-world test. Each chemical group, from the difluorophenyl to the TIPS-protected oxygen, reflects hands-on decision-making and experience—from tricky reactions to tough purification steps. Collaboration feeds progress. Teams of synthetic chemists, biologists, and data experts turn theory into something that holds up under scrutiny. As we all keep learning, understanding the structure isn’t just about memorizing names—it’s about seeing the journey toward something that might help people and move science forward.

What are the primary applications or uses of this compound?

Sodium Bicarbonate in the Home Kitchen

Baking soda brings back memories of homemade bread and cakes, the little white box tucked into pantry corners. In my kitchen, it keeps things rising and even helps out with the odd burnt pan. This everyday powder kicks off a chemical dance as soon as it meets something acidic. Those familiar bubbles in cakes and cookies come from this reaction, setting the stage for many of our favorite foods. But the kitchen isn’t the only place it shines. It sits quietly in refrigerators absorbing smells, and once in a while, I grab a pinch to deal with lingering coffee stains on mugs. Small efforts, big impact.

Healthcare Uses: Gentle Lift for Acid Problems

My first introduction to sodium bicarbonate outside the kitchen came in the medicine cabinet. Many people rely on it as a simple way to calm stomach acid – a teaspoon in water offers quick relief from heartburn. Hospitals often reach for sodium bicarbonate in emergency situations. Doctors use it to handle certain poisoning cases or to correct dangerous drops in blood pH. Trusted for over a century, this compound helps support kidneys struggling to balance acid, and research over the last decade continues to confirm its value in specific medical treatments.

Keeping Things Clean: Everyday Cleaning Power

This compound stands out as a green cleaner. In my own home, a paste of baking soda on a damp sponge clears stubborn marks from counters, ovens, and sinks. It scrubs gently, leaving no harsh chemical residue behind. A sprinkle in the laundry softens water and boosts regular detergent, leading to brighter clothes with less environmental guilt. Beyond homes, cleaning firms and hotels choose sodium bicarbonate for its reliability and environmental safety, something that reflects growing demand for safer cleaning solutions across industries.

Water, Air, and Beyond

One often overlooked niche is water treatment. Plant operators introduce sodium bicarbonate directly into municipal water to keep pH levels stable. Clean water running from taps in big cities often owes its drinkability to this quiet helper. On a larger scale, it even helps clean the air we breathe; power plants add it to flue gas to trap acidic pollutants and cut down on air pollution. Both water and air depend on this compound behind the scenes, an example of often unnoticed roles that keep life smooth in towns and cities.

The Science Lab and Swimming Pools

Lab work during my college days leaned on sodium bicarbonate for basic experiments. Its role in regulating pH made it important in countless biology and chemistry labs. This function echoes outside, too: swimming pool owners rely on it to balance pool water. Swimmers don’t often think about it, but every splash in a clear pool depends on just the right amount. This simple ingredient remains crucial wherever water quality matters, from local community pools to Olympic training centers.

Food Safety and Fire Safety

Packaged food carries another sodium bicarbonate stamp. Food processors use it as a leavening and anti-caking agent—the stuff that keeps powders from clumping. Fire extinguishers used in kitchens and small offices deploy sodium bicarbonate to smother flames. My grandfather, a retired fireman, swore by the quick knock-down power of these extinguishers for oil or electrical fires, a testament to decades of safe, rapid emergency action.

Recognizable, Reliable, and Versatile

Looking over the list of jobs this compound tackles, it stands clear why it remains essential. It’s affordable, safe, and time-tested. Whether protecting health, keeping our food enjoyable, or making homes safer, sodium bicarbonate works quietly but effectively in everyday life.

What is the solubility and stability profile of this product?

Getting to Know Solubility

Solubility goes straight to the heart of whether a product lives up to its promise. Anyone who has ever tried to dissolve something in water—sugar in coffee, salt in soup—knows how early things can start to go wrong. If a product refuses to dissolve fully, or lingers in clumps at the bottom, the results aren’t just annoying. With pharmaceuticals, nutrition, or chemicals, the impact can get costly or downright risky.

Pharmaceutical developers often demand quick answers about solubility. If a drug doesn’t dissolve well in the gut, it won’t deliver enough of its benefit. Countless studies point to the majority of new drug candidates stumbling over poor water solubility—one estimate pegs the figure at over 40% of all new drug molecules. That’s a lot of wasted time and investment.

In the food industry, beverage makers and chefs alike search for ingredients that dissolve swiftly and create a pleasant texture. There’s a world of difference between a drink that’s smooth and refreshing and one with gritty grit at the bottom. Solubility affects color, taste, and mouthfeel in ways that customers notice in the first sip.

Stability: Holding the Line Over Time

Stability means knowing that a product’s good traits won’t unravel in storage, shipping, or on the shelf. Medicines lose their punch when active ingredients break down. Food products can separate or lose flavor. In my own work with supplements, I’ve seen customers lose faith in a brand after spotting clumps or color changes in their favorite powder—these are warning signs that shelf life might be short or ingredients aren’t holding up.

Scientific testing grounds these observations. Temperature swings, humidity, exposure to light, and air can speed up chemical changes that wreck a product. Vitamin C offers a classic example. Stored the wrong way, it quickly oxidizes and turns brown, which signals it won’t do much for your health anymore. Regulations push companies to run stress tests under different scenarios—hot, cold, humid, dry—to predict what really happens over the course of shipping and storage.

Bringing Facts and Solutions

Data drives decisions. Lab tests like HPLC and mass spectrometry reveal how stable ingredients are, and solubility numbers from controlled experiments show whether a product will perform as intended. I’ve relied on third-party certificates of analysis to double-check a supplier’s claims. Too many corners get cut in crowded markets, so seeing clear, recent test results counts more than a slick brochure.

The path forward runs through better formulation. Researchers keep searching for ways to tweak materials, particle size, or add safe excipients that boost both solubility and long-term stability. For instance, micronization—grinding a powder so fine that it dissolves instantly—often pays off for poor-solubility products. Protective coatings or packaging choices also hold the line against moisture and oxidation.

Trust gets built on transparency. Customers deserve to know how well a product stands up to real-world use and storage. Sometimes, small improvements—a tighter lid, better desiccant, even a new mixing guide—can make all the difference.

A clear, honest look at solubility and stability does more than answer a technical question. It builds confidence. It keeps products safe, reliable, and effective by putting facts ahead of guesswork.

Are there any recommended storage conditions or precautions for handling this chemical?

Everyday Decisions Shape Safety

Storing chemicals isn’t just a technical task for lab techs and factory workers. Anyone with a bottle of bleach or can of paint thinner at home already knows the risks involved. Fact is, the rules that work in professional facilities matter just as much in schools, garages, and sheds. A childhood memory stands out—seeing my dad tape a “skull and crossbones” on a cabinet and warning me not to touch it. Even before I learned the meaning behind hazard warnings, that basic caution could’ve made all the difference.

Temperature, Moisture, and Sunlight: Enemies to Watch

Some chemicals react to the environment in unpredictable ways. Take sodium hypochlorite, the key ingredient in household bleach. It breaks down quickly above room temperature and sunlight only speeds it up. If you’ve ever wondered why a bottle loses its punch, chances are someone left it in a warm garage. For many solvents and acids, heat and humidity act like a fast-forward button for decomposition. That means less cleaning power—and elevated risk. In industrial practice, even a small rise above 25°C can cut shelf life in half for lab reagents like hydrogen peroxide.

Moisture isn’t just a problem for powders and granules. A bottle cap left loose in a humid room allows slow absorption of water, leading to clumping, rust, or a dangerous buildup of pressure—especially with strong acids like sulfuric or hydrochloric.

Storage Location Shapes Outcomes

Most accidents come back to where and how products get stored. Storing flammables next to an open flame, space heater, or even an old electrical socket is asking for trouble. Fire departments report dozens of garage fires each year traced to stacks of paints and solvents left close to old hot water tanks. Simple fixes, like lockable cabinets kept away from heat and direct sun, do a lot more for safety than fancy warning stickers.

Never underestimate the power of a good label. In high school chemistry, I saw more than one bottle switched or mislabeled by mistake. That can turn simple cleanups into ER visits. I’ll never forget the panicked look on a teacher’s face when a student grabbed acetic anhydride, thinking it was vinegar for a volcano project. Clear labeling and color-coded containers turn confusion into confidence.

Ventilation and Separation: Lessons Learned

Nowhere is ventilation more important than with volatile chemicals. Ammonia, formaldehyde, or even common pesticides generate fumes that linger in closets and basements. A close friend working at a city pool learned this the hard way when chlorine fumes built up in an unventilated storeroom, forcing an emergency evacuation. Local code often requires a vented cabinet for such chemicals, and for a good reason: the right airflow can be a lifesaver.

Storing chemicals in separate cabinets takes a bit more effort but cuts the risk of dangerous reactions to almost zero. Acids and bases on opposite walls, oxidizers far from anything flammable, and a simple spill tray beneath fragile bottles—these precautions only seem obvious after reading too many accident reports. Instead of thinking of rules as red tape, it helps to see them as reminders from people who've learned the hard way.

Real-World Precautions Save More than Product

Storing chemicals safely isn’t only for big companies or science labs. Household bleach, fertilizer in the shed, and solvents for DIY projects bring their own danger. Keep lids tight, stick to cool dry spots, and never store next to heat or food. Spend a few seconds scanning a label—those odd symbols and warnings are worth your time. In the end, a well-stored chemical just sits there, doing no harm, waiting until you need it. That’s the best outcome anyone can hope for.

Is this compound available in different purity grades or quantities for purchase?

A Real-World Need for Choices

Buyers looking into chemical compounds soon realize that purity grade and available quantity make all the difference. Whether it’s a research student working on a thesis, a quality control analyst in a pharmaceutical lab, or a product development chemist, everyone relies on the right fit for their work. A one-size-fits-all approach barely suits anyone in a field this demanding. In my own experience running a modest teaching lab, even a single percent difference in reagent purity can spell disaster for an experiment or save a week’s work. Getting access to exactly what’s needed avoids wasted time, missed results, and safety risks.

Purity Isn’t Just a Technical Term

Purity grades stretch from technical grade—fine for some industrial processing—all the way to ACS or pharmaceutical grades, where even minute contaminants can interfere. Take sodium chloride: commercial road salt fits one kind of budget and purpose, but an analytical chemist or a food scientist would be looking for trace-metals analysis and predictable behavior. In pharmaceutical manufacturing, contamination affects product safety and public health. Too little oversight, and small errors or impurities easily snowball into big costs or, far worse, patient risk.

Supply Chains Tested by Real Demands

Over the last few years, shortages and disruptions exposed the cracks in chemical supply chains. Bulk chemicals for manufacturing often appear in multi-ton shipments. Educational or research groups rarely have storage or budget for those quantities. Smaller bottles, by contrast, do come at a markup. Large companies can sometimes absorb these costs, but independent labs or small businesses with tight margins often struggle. In my own lab, pooling orders with other departments became the only way to make small quantities affordable, but not everyone has that option.

Safe Sourcing and Quality Control

No matter where the compound comes from, traceability counts. Not every vendor delivers reliable certificates of analysis or stands behind claimed purity. I’ve seen fake documentation surface, even from trusted suppliers, and spot checking every batch becomes part of the workflow. This vigilance slows down projects, raises costs, and sometimes still can’t prevent mistakes slipping through. Proper oversight would call for up-to-date testing, tight regulation, and stronger partnerships between buyers and suppliers.

The Path to Reliable Access

What could smooth these challenges? More transparency helps buyers make confident decisions and avoids supply headaches. Clear labeling, batch test data, and responsive customer support set reputable vendors apart. Institutions and companies can offer collective purchasing, letting smaller players access quality products at fair prices. Some government agencies fund bulk buying schemes to help researchers and small-scale manufacturers.

Education also plays a role. Giving buyers the tools to judge what grade they need cuts unnecessary spending and avoids preventable mix-ups. Suppliers sharing practical use cases and safety data help end users avoid waste. As chemistry grows more central to health, food, environment, and new technology, the basics of access and choice in chemical supply only grow in significance.

Why the Details Can’t Get Overlooked

Ignoring grade and quantity options doesn’t just slow research or dent budgets; it shapes the future of scientific discovery and safe industry. Every day, someone relies on that last bottle of precisely labeled, high-purity compound—hoping they can trust what’s inside. Meeting diverse demands keeps science and progress moving.

(5S,6S,9R)-6-(2,3-Difluorophenyl)-9-((triisopropylsilyl)oxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-one