This compound holds a key position among raw materials for advanced pharmaceutical synthesis and research. Taking a look at its IUPAC name reveals complexity beyond a simple structure, hinting at multiple functional groups and unique molecular geometry. The backbone of this molecule includes a cyclohepta[b]pyridine ring system, known for its relevance in drug discovery and synthetic organic chemistry. Stereochemistry at positions 5, 6, and 9, combined with a difluorophenyl group and a bulky triisopropylsilyl protector, mark it as a specially tailored tool for specific chemical processes. Cyclic compounds of this type demonstrate impressive stability and reactivity, making them highly sought after for targeted molecular design.
With a formula typically written as C25H33F2NO2Si, this compound carries a molecular weight of roughly 445.62 g/mol. Its structure includes a seven-membered ring fused with a pyridine moiety, contributing nitrogen to its molecular properties. The 2,3-difluorophenyl substitution on position 6 changes its electronic and steric environment, often influencing how molecules interact in biological assays. Chemical protection through the triisopropylsilyloxy group at nitrogen on position 9 improves solubility and handling during multi-step syntheses. Fluorine atoms resonate with medicinal chemists because of their role in modulating bioavailability and metabolic stability.
Solid at room temperature, this material comes as crystalline flakes or off-white to pale powder depending on crystallization conditions. The density sits close to 1.14 g/cm³, which helps during weighing and formulation. Flakes or powder forms pack densely in containers, resisting airborne dispersion, and falls well within safety parameters for general laboratory handling. Given the crystalline habit, clear geometric facets sometimes appear under the microscope, illustrating purity and careful control during production. Often, synthesis batches form small pearls or irregularly shaped crystalline solids, making it easier to handle and transfer during production.
As a moderately lipophilic compound, it dissolves in common organic solvents like dichloromethane, tetrahydrofuran, and ethyl acetate. Solubility in water is notably poor, which fits expectations for a molecule with multiple hydrophobic substituents. Preparing concentrated stock solutions for chemical synthesis usually involves weighing precise amounts into volumetric flasks, then gently stirring in solvent until everything dissolves. Once dissolved, the clear or faintly colored solution stays stable if protected from moisture and prolonged air exposure. To avoid contamination, glass or high-grade plastic spatulas work best for transfer, helping to maintain material integrity over repeated uses.
Quality standards for this product demand a purity above 98%, measured by high-performance liquid chromatography or NMR analysis. Moisture content, residual solvents, and heavy metals must align with ICH Q3 guidelines, as any deviation could affect downstream pharmaceutical safety or performance. Specification sheets commonly detail melting point ranges, optical rotation, and chromatographic purity, each batch checked before release. Larger scale users, including pharmaceutical or agrochemical companies, request full safety documentation and technical support. With the right stewardship, including material testing and stringent batch release practices, this compound keeps pace with the most demanding manufacturing environments.
International trade for this product uses the Harmonized System (HS) Code 2933.39, which covers heterocyclic compounds with nitrogen heteroatoms. This classification makes customs clearance and documentation easier across different jurisdictions and underscores the need for compliance with export control laws in certain countries. Some governments view chemicals with this profile as strategic or dual-use goods, requiring informed declarations from shippers and buyers. Importers should ensure conformity with national chemical regulations, such as registration or pre-market authorization within the REACH framework in the EU or TSCA requirements in the United States.
On safety data sheets, (5S,6S,9R)-6-(2,3-Difluorophenyl)-9-((triisopropylsilyl)oxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-one receives the label of “hazardous” in case of eye or skin contact and during inhalation of dust. In practice, users should avoid generating fine powders or inhalable aerosol. Wearing nitrile gloves, laboratory coats, and protective goggles prevents direct exposure. Standard laboratory fume hoods remove airborne particles, reducing risk. Although no acute toxicity studies are typically available for research-grade intermediates like this, standard precautions remain a reliable foundation. Disposal requires consultation with local environmental rules—organic waste collection typically best for small quantities, with larger amounts following hazardous chemical disposal protocols.
Fluorinated aromatic systems attract concern as persistent environmental pollutants if mishandled, and accidental spills need prompt containment with absorbent materials. Short-term exposure can produce mild respiratory or skin irritation. Ensuring clean storage, labeling, and restricted access cuts down on accidental releases or misuse. Employees or users unfamiliar with the hazards might underestimate the risk posed by powder generation, especially during weighing or mixing. Continued emphasis on chemical literacy and updated safety data sheets helps keep laboratory and warehouse personnel safe, reducing the chance for accidental exposure or mishandling.
Pharmaceutical research houses rely on raw materials like this for targeted molecule design—adding rigidity or fluorine functionality where needed for metabolic studies or improving the half-life of drug candidates. Cross-coupling protocols often utilize intermediates of this complexity because their robust protecting groups survive under typical reaction conditions. Medicinal chemists appreciate the precise stereochemistry and capacity for further modifications, allowing SAR studies or advanced analog synthesis. Beyond medicinal uses, advanced polymer developers and agrochemical discovery teams look for longevity and performance in raw materials; this compound’s stability and adaptability make it equally attractive in those realms.
Best practice for storage starts with tightly sealed containers, often amber glass to protect against UV degradation. A cool, dry environment limits hydrolysis or other degradation pathways, with silica gel desiccants guarding against moisture ingress. Product labels mark date of receipt, batch number, and outdate, supporting traceability and inventory management. For highly sensitive work, inert atmosphere storage—such as nitrogen- or argon-flushing—improves shelf life dramatically. Well-organized chemical inventories with strong documentation lower risk, speed up audits, and allow quick tracking in case of a recall or unusual event.
Materials like (5S,6S,9R)-6-(2,3-Difluorophenyl)-9-((triisopropylsilyl)oxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-one represent the building blocks behind today’s innovation in chemistry and life sciences. Their careful handling, robust documentation, and compliance with regulations help drive safe progress, reduce hazard, and encourage responsible stewardship in research and development spaces. From firsthand experience, clear communication and respect for the nuance of molecular structure make an enormous difference in the lab and the marketplace.
