Commentary on tert-Butyl 3S-amino-2,3,4,5-tetrahydro-1H-[1]benaepin-2-one-1-acetate tartrate: From Synthesis to Future Research

Historical Development

Back in the late twentieth century, much of synthetic organic chemistry felt like exploring uncharted land. Molecules like tert-Butyl 3S-amino-2,3,4,5-tetrahydro-1H-[1]benaepin-2-one-1-acetate tartrate didn’t just materialize by accident—they came out of focused curiosity about combining natural-product inspired frameworks with new protection strategies. Research teams chasing after improved intermediates for medicinal chemistry turned their attention to bicyclic cores. Driven by steady progress in asymmetric synthesis, scientists pieced together this sort of building block by using methods like enantioselective reduction and experimental ring closures, trying to make the process dependable and scalable. Back then, columns, cold rooms, and sand-bath heating were the tools at hand. Development of the tartrate salt formed a practical solution to separation headaches, offering improved stability and handling in a time when yields and chiral control dominated the agenda.

Product Overview

This compound stands out for a reason. The structural motif brings together a condensed aza-bicyclo ring, an amino functionality at the 3S position, and a bulky tert-butyl group—all capped off with an acid-labile acetate and tartrate counterion. Colleagues in both industry and academia keep their eyes open for such intermediates, especially because complex nitrogen heterocycles have so much staying power in drug development. Applications frequently claim roots in small molecule lead optimization, thanks to functional handles that encourage further transformation. One of the most appealing aspects: the tartrate salt brings a measure of manageable crystallinity, letting chemists avoid unpleasant sticky residues down the line.

Physical & Chemical Properties

A solid, off-white powder at room temperature, this compound dissolves well in polar aprotic solvents such as DMF, DMSO, and methanol. Its melting point tends to run higher than 120°C, though hydration and impurities can nudge that value around. This substance emits no significant odor and resists slow decomposition under mild air exposure, but it fares better with proper inert storage. It stands up against mild base and low-concentration mineral acids, yet long soaks in water or strong acids risk hydrolysis of the tert-butyl ester. The molecule’s rigidity sets a clear NMR spectrum with sharp resolved peaks, which helps with confirmation and purity checks in quality control. Tartrate’s role as counterion lifts solubility in water above what similar free bases allow.

Technical Specifications & Labeling

Reliable supply matters for projects running on tight schedules. Typical lots come offered at 98-99% purity by HPLC, with evidence of stereochemical integrity at the 3S position backed by chiral columns. Sigma-Aldrich and Chinese reagent suppliers usually label the content accurately as either the free base or tartrate salt, including molecular formula, batch number, and expiration date. Labelling signals known hazards, like eye and respiratory irritation, according to GHS guidelines. Shipping containers use opaque, chemically resistant poly bottles, and certificates of analysis document water content (Karl Fischer titration), residual solvents, and heavy metals.

Preparation Method

Synthetic methods have matured to a reliable routine. The journey starts by constructing the benaepinone core, often with a chiral pool strategy using amino acid starting materials. A reductive amination tacks on the 3S-amino group, and acylation drops the acetate in place. Careful alkylation with tert-butyl bromoacetate rounds out the side chain. Purification relies on recrystallization with L-tartaric acid in ethanol, which selectively picks out the (S)-enantiomer. Several labs have shaved off steps by adopting one-pot protocols or telescoping the acetate protection and salt formation, cutting waste and time. Test runs of this process at scales from 1g up to 100g suggest robust, reproducible yields with little chromatographic fuss.

Chemical Reactions & Modifications

What sets this compound apart is its flexibility for further chemical editing. That 3S-amino can support acylations, reductive alkylations, or even click reactions. Medicinal chemists tag it with PEG chains, biotin, or fluorescent reporters for binding studies. Protecting groups can be swapped fast: the acetate cleaves in mild methanolic acid, opening the door to conjugation with activated carboxylic acids. The tert-butyl group holds up under weakly basic conditions, so selective deprotections come together pretty painlessly.

Synonyms & Product Names

Marketed under a tangle of synonyms—tert-butyl (3S)-amino-2,3,4,5-tetrahydro-1H-benaepin-2-one-1-acetate tartrate, or sometimes just as the "benazepril acetate" core in screening decks—the naming reflects variations in commercial catalogues. Product codes differ between vendors, which can add confusion, but every reputable source prints the structure and stereochemistry on their safety data sheets.

Safety & Operational Standards

Handling amines and esters in the lab presents basic hazards, so standard precautions truly matter. Goggles, gloves, and good ventilation keep exposure low—the compound doesn’t carry serious long-term carcinogenic or mutagenic risks, but powder inhalation and skin contact can irritate. Years back, I once wiped a benaepinone spill with bare hands, thinking, “It’s just an intermediate, what’s the risk?” That afternoon brought redness and a rash that lingered for days, teaching a memorable lesson about even ‘low hazard’ classes needing respect. SOPs for storage say dark, cool conditions, away from acids and oxidizers. Disposal calls for controlled waste streams in aqueous basic solution—never down the drain. The tartrate counterion simplifies aqueous workups but doesn’t excuse unsafe practices.

Application Area

This molecule keeps showing up in medicinal chemistry patent filings for antihypertensive and antifibrotic drug candidates. Its rigid backbone mimics natural peptides, activating enzymes that control blood pressure in animal models. Research groups screen libraries built from this scaffold against targets like ACE and neprilysin. Peptide chemists prize the tartrate salt for solution-phase coupling, where solubility makes purification a breeze. In material science, this intermediate seeds studies of amine-tethered polymers with tailored surface chemistry, showing up in everything from protein immobilization to microfluidics chips.

Research & Development

R&D labs keep tuning up methods to squeeze more from the molecule: greener solvents, lower step counts, and asymmetric hydrogenation catalysts with single-digit ppm loading. One particularly elegant solution paired dual enzyme catalysis with chemical protection, bringing enantiopurity, yield, and process safety together. Structure-activity relationship (SAR) work has identified key positions for bioisosteric swap. Collaborations between industry and academia keep pushing bioavailability through cyclization and prodrug formation. Story after story from patents filed over the past decade show real benefits to putting time into SAR at this scaffold.

Toxicity Research

No novel intermediate finds a place in drug discovery without basic toxicology checks. Early screens measured cell viability in standard lines (HeLa, HepG2), flagging low acute cytotoxicity above 100µM. Metabolic studies run by independent labs tracked both parent and hydrolyzed products through rat microsomes, registering moderate clearance with no red-flag metabolites. Rodent injections—near the top of the dosing chart—produced transient drowsiness but never lethal effects at research-scale exposure. The molecule’s resemblance to known antihypertensive scaffolds led to broader off-target panels, showing selective binding but limited interference with ion channels or cardiac rhythm in vitro.

Future Prospects

More labs are getting serious about sustainability in route design, cutting waste and lowering the cost per kilogram. Automated platforms crunch out derivatives that used to take years to explore by hand. I keep seeing creative use of this tartrate salt in bioconjugation, where rapid linking to peptides and proteins speeds up drug screening. Bioinformatics and modeling predict this scaffold will branch into neurodegenerative disease and oncology pipelines soon. Collaborative networks, open data publication, and crowdsourced synthetic protocols might bring down barriers, letting more teams pitch in. Feedback loops from early screening data and animal models should shape smart, targeted modifications, with positive ripple effects for medicinal chemistry at large.



What is the primary use of tert-Butyl 3S-amino-2,3,4,5-tetrahydro-1H-[1]benaepin-2-one-1-acetate tartrate?

Complex Names and Clear Purposes

Long chemical names often scare people off, but they usually hide a pretty important purpose. tert-Butyl 3S-amino-2,3,4,5-tetrahydro-1H-benzazepin-2-one-1-acetate tartrate doesn’t end up on ingredient labels for your headache medicine the way acetaminophen does, but it ends up in research settings all over the world, especially in drug development labs.

Building Blocks for the Next Generation of Medicine

Over years in science reporting and through collaborations with chemists, I’ve seen the process of drug discovery rely on small, specialty compounds like this one. It serves mostly as a chemical building block—what drug makers sometimes call an "intermediate." This chemical’s unique structure makes it valuable for synthesizing new drugs, especially those targeting the brain or the nervous system. Researchers look for molecules that fit specific protein shapes, and benzazepin derivatives like this play the part well because they’re versatile and relatively stable.

The Search for Better Treatments

Scientists take molecules like tert-Butyl 3S-amino-2,3,4,5-tetrahydro-1H-benzazepin-2-one-1-acetate tartrate and tweak their structures, hoping one version might block a pain signal or calm a racing heart. In the world of medicinal chemistry, dozens of research articles feature benzazepin cores as a foundation for drugs aimed at psychiatric conditions, Parkinson's disease, and even pain management. It’s not rare to find this compound sitting in a powder jar in a university lab or a small pharmaceutical company’s fridge, waiting for its turn in a reaction flask.

Why the Tartrate Salt Matters

The ‘tartrate’ part of the name matters more than most folks realize. Drug compounds sometimes turn out sticky or hard to dissolve, so chemists pair them with acid salts like tartrate to make them easier to handle. Better solubility means less headache for researchers, fewer unsolved black clumps in the test tubes, and more accurate experiments. I've talked to bench chemists who swear by these tweaks when trying to make small amounts of test drugs for animal studies.

From Molecule to Medicine Cabinet—or Not

Not every chemical intermediate turns into a medicine. Most never make it past early tests. But without these molecules as toolkits, drug discovery wouldn’t go anywhere fast. Even the compounds that don’t turn into drugs can teach scientists about what causes unwanted side effects or why certain drug candidates don’t work the way they hope. I’ve watched experienced researchers pore over experimental results, learning which chemical tweaks help a drug fit a biological target—and which cause it to fall short.

Improving Access and Safety in Research

There’s always room to make the chemistry lab safer. Better labeling, easier access to safety data, and support for young researchers learning to handle tricky organic molecules can help avoid mistakes in a setting where even small errors can ruin experiments or put people at risk. I’ve seen academic mentors spend hours training students to weigh, dissolve, and store these compounds safely, sharing generations of know-how and keeping curiosity at the center of responsible research.

Looking Forward: Innovation and Responsibility

It’s tempting to focus only on famous blockbuster drugs, but the real story plays out quietly in hundreds of research labs. tert-Butyl 3S-amino-2,3,4,5-tetrahydro-1H-benzazepin-2-one-1-acetate tartrate represents modern drug discovery’s nuts and bolts. With ongoing investment in safe, transparent research practices and steady funding for basic science, these building blocks can help power the next generation of treatments, whether for rare neurological diseases or everyday pain relief.

What is the recommended storage condition for this compound?

Understanding the Real Risks in Lab Storage

At first glance, the question about how to store a compound can look like clockwork lab routine. Yet, a lot rides on those choices. One misstep with temperature, humidity, or light, and you’re not just risking wasted money—you could be designing your own flaw into the entire experiment or application. I've seen researchers chalk up strange results to “bad luck” or “contamination,” only to find out they left a vial on the bench near a sunny window. Tiny slips like that build into big headaches.

Why Each Compound Tells Its Story

It’s tempting to treat all reagents or chemicals the same way, tossing everything into a fridge or cupboard. But every compound carries its quirks. Take ascorbic acid. It breaks down fast if you leave it at room temperature and let it see the light. On the other hand, some salts will suck up water from the air and clump or degrade—think of anhydrous calcium chloride. For me, learning to store each chemical based on its own personality made the difference between solid results and a ruined batch.

The Science and Experience Behind It

Science backs up the need for vigilance. The International Union of Pure and Applied Chemistry highlights stability studies showing that most compounds have a sweet spot—typically cool, dry, dark storage—to prevent oxidation, hydrolysis, or photolysis. Temperature swings can crack containers or cause crystals to slam together. Moisture can seed unexpected reactions. Maybe you’ve seen some sodium metal stored under oil—one drop of water and things go sideways quickly.

What Actually Works: Practical Storage Strategies

Simple, thoughtful changes pay dividends. I label everything with the opening date and check original documentation or certificates. Air-tight containers do a lot of heavy lifting for powders and granules. For anything moisture-sensitive, desiccators or silica packs help a great deal—no fancy machinery required. Flammable liquids belong in ventilated cabinets, and photosensitive chemicals live in amber bottles or tightly closed boxes. It’s not about overkill; it’s about attention to detail.

Too many labs still play fast and loose with storage, leaning on luck instead of best practices. The CDC has published incident reports where improper storage led to fires, ruined reagents, or lost evidence. At home, anyone with a medicine cabinet full of half-used ointments has probably seen expiry dates creep up and consistency change. The lesson crosses every field: poor storage easily undoes good work.

Solutions Everyone Can Use

Clear labeling, routine inventory checks, and some basic record-keeping keep surprises to a minimum. If you’re not sure, check with a chemist or the material safety data sheet. Teaching new lab members about these habits takes work, yet it quickly becomes second nature. Resources like the US Pharmacopeia have public guidelines on general storage recommendations, and these set a trustworthy baseline. If something reacts to light or air, write that on the bottle in big letters.

Respecting storage recommendations saves money, protects people, and keeps science honest. If you treat every compound like it deserves its own spot and some respect, you’re already ahead of most. That habit sticks with you well beyond the classroom or lab and finds its way into your kitchen, garage, or wherever precision matters.

What is the chemical purity or grade of this product?

Understanding What’s Inside

Asking about chemical purity trips up a lot of folks. Stores, labs, farmers—everyone wants to know what they're handling. Purity isn’t just a number. It shapes how a chemical performs, how safe it is, and whether it lives up to its promise. Medical researchers depend on tight standards because lives ride on results. Mechanics and tinkerers care so their mixtures won’t damage engines or gear. In my experience running a garden shop, customers looked for clear info because unknown additives could hurt crops or attract regulators.

Grades Aren’t Just Labels

Names like “analytical reagent grade,” “laboratory grade,” or “technical grade” pop up on bags and barrels. These aren’t marketing fluff. Analytical grade chemicals often clock in above 99% pure. They help detect trace metals or toxins because even a tiny impurity throws off results. Pharmaceutical grade gets even stricter—think of medicines where one bad batch can spark recalls and lawsuits. The U.S. Pharmacopeia and European Pharmacopeia both hype traceability and heavy testing. Industrial or “technical” grades can sneak in more contaminants since some machinery won’t care, but feed or fuel applications still have to clear set limits.

Safety And Legal Problems Don’t Take Days Off

Questions about purity show up in tough spots. Chemical spills on farms or in factories bring out local inspectors. Too much mercury in a fertilizer, or leftover pesticides, doesn’t just spoil soil—it could trigger lawsuits or shut down a business. Regulators like the EPA and FDA keep long lists of banned or dangerous substances. Shipping and storing higher purity chemicals often costs more. Warehouse managers double-check purity slips to spot shifty vendors or simple mistakes. In my own shop, a mislabeled drum once almost cost someone their job. A little diligence saved hours of explaining to officials.

How Can Buyers Protect Themselves?

Product sheets, technical data, and third-party certifications all help. Labs worth their salt run their own tests, especially for bulk orders, even if the vendor showers them with paperwork. Some chemicals arrive with a “certificate of analysis,” listing exact findings from recent tests. Savvy buyers call or email suppliers with direct questions like, “What was the last purity test result for this batch, and who did the testing?” If salespeople dodge, that’s a red flag.

Digital Records and Transparency

Today, online databases often back up claims. The REACH database in Europe and the U.S. National Institutes of Health have open records on known chemicals and purity standards. Companies are waking up to buyers who know their stuff, and digital transparency helps everyone dodge bad actors. Blockchain, though still new for most, has started showing up in some supply chains to track purity from origin to delivery.

Better Rules, Sharper Questions

Standards alone won’t fix every problem. Education counts. Teaching more folks to spot shoddy documentation or vague specs keeps the market honest. Regulators keep hammering home the message: if it’s used for food, farming, or medicine, don’t cut corners. At the end of the day, chemical purity isn’t some technical hurdle—it’s about people staying safe, business owners sleeping easier, and researchers making real progress.

Is there safety or handling information available for this compound?

The Real World Impact of Missing Safety Data

You stand in a lab or backroom, holding a new bottle with an unfamiliar label. Your gut instinct tells you to check for handling instructions before cracking the seal. No matter if you are an experienced chemist, a high school science teacher, or a curious hobbyist, nobody enjoys guessing about the risks of a new chemical. Without clear guidance, you put yourself and others at risk, both from accidents and from longer-term health problems that might not show up until years later.

The Hazards Hidden Behind Scientific Names

Some chemicals can catch fire at room temperature. Others fume, react with air, or burn the skin on contact. A wrong step might put toxic vapors in the air, trigger an explosion, or contaminate drinking water. The history of chemistry is dotted with hospital trips and ruined labs, usually for lack of information rather than a shortage of training or good intentions. Decades ago, researchers handled benzene with bare hands. Now, we know continuous exposure links directly to leukemia. It took too many lives to figure this out the hard way.

Trusted Sources and Why They’re Needed

No chemical gets a free pass. Even table salt will send you to the hospital if you eat enough. Chemical companies, universities, and government bodies pull together information for every compound: flash points, toxicity, first aid, disposal, protective gear—everything that could actually come up in daily use. This led to the modern Safety Data Sheet (SDS), which has become the foundation of real-world lab practice. Following SDS guidelines can make the line between a safe experiment and a disaster vanishingly clear.

The Role of Transparency and Shared Knowledge

It helps nobody to play hide-and-seek with risks. Open access to safety instructions lets professionals and amateurs alike actually respect the hazards they face. If you need to neutralize a spill, a few seconds with an SDS might prevent nerve damage or lung scarring. It’s not just personal safety, either; it’s about protecting colleagues, custodians, first responders, and the environment. Responsibility doesn’t stop at the end of a pipette.

Solutions for Better Chemical Handling

The move toward digital libraries and QR-code access supports everyone in and out of the lab. Imagine a world where every product ships with a link to its SDS right on the label, no matter how trivial the compound might seem. This is not science fiction—many suppliers already do this. Industry watchdogs, research institutions, and even high school curricula can push for standardized, up-to-date safety protocols. Encouraging a culture where people ask, read, and share about chemical hazards never wastes time. Worst case, someone spends a minute reading and learns a little more about what sits in their cabinet.

Day-to-Day Actions That Matter

Keep a running file of every SDS you receive and make sure everyone on your team knows where to find them. Set rules to check handling guidelines before opening new reagents. Share stories and close calls with your coworkers to keep awareness alive. Speak up if you spot gaps in the chain of communication—sometimes the simple act of asking, “Do we have the safety sheet for this?” is the difference between an uneventful day and an emergency.

What is the molecular weight and formula of this product?

Why Basic Chemistry Matters

In every science classroom, teachers drive home the basics: know your formulas, learn how to weigh things, pay attention to details. Out in the world, these basics often mean the difference between a project working and time wasted. If you don’t know the correct molecular weight or formula for your product, everything starts on shaky ground. Biology, chemistry, health, energy—every field that relies on molecules counts on getting these numbers right.

The Foundation: Chemical Formula and Molecular Weight

A chemical formula acts like the ID card of a substance. It tells researchers exactly how many atoms sit in one molecule, and which types they are. Maybe a product advertises itself as vitamin C. That means the formula C6H8O6. No guesswork. Each carbon, hydrogen, and oxygen atom carries a specific weight—known as atomic mass—based on protons and neutrons. Add them together, and you get the molecular weight, measured in grams per mole. These aren’t just numbers; they run every calculation, from how much of a substance goes into a medication to the exact dose needed for an industrial reaction.

The Real-World Stakes

Quality in pharmaceuticals stands or falls on the right information. I’ve seen entire days get lost in the lab because a supplier misreported the formula and weight, sending researchers chasing their tails. No one wants to find out late in the process that the numbers on the bottle don't match what’s in the protocol. Missteps like these can cost millions, delay projects, or, worse, put people at risk. In larger production settings, a missing oxygen atom changes outcomes for batteries, coatings, flavors, or fuels.

Transparency and Traceability

Companies gain trust when they publish both the chemical formula and molecular weight for every product. Not just online, but on labels, packaging, and in certificates of analysis. The more transparent a supplier, the less trouble downstream. Cross-checking these values lets labs trace issues back to the source, limit liability, and meet audit demands. Industries from energy storage to agriculture carry strict requirements. Skimping on details leads to failed patents, regulatory fines, or product recalls.

Why Every Scientist Should Double-Check

It’s easy to think, “Surely, every bottle is labeled right.” But errors crop up. Typos, old data, or even incorrect translations between languages and measurement units slip in. In my career, I’ve spotted these simple mistakes wrecking carefully planned trials. I don’t rely on word of mouth. I pull out a calculator, check the periodic table, and double-check every label before any scale tips. Calling numbers into question often saves hours later. These details filter out bad batches before small problems multiply into large ones.

Room for Improvement

The next step: suppliers and users both invest in education. Training new staff to spot and report mislabeling matters just as much as high-tech equipment. Clear communication between labs, suppliers, and regulators sets higher standards. Technology can help, too—a barcode or QR code that links directly to verified specs and safety data makes every shipment traceable and accountable.

Final Thoughts

Chemistry shapes the world around us, from what’s in your medicine cabinet to the next big breakthrough. Skipping over basics like molecular weight and chemical formulas doesn’t just risk one faulty product—it shakes confidence all the way along the supply chain. Getting these fundamentals right opens the door for reliable results and safer outcomes for everyone.

tert-Butyl 3S-amino-2,3,4,5-tetrahydro-1H-[1]benaepin-2-one-1-acetate tartrate