(5S,6S,9R)-5-Amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol Dihydrochloride: In-depth Description

What is (5S,6S,9R)-5-Amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol Dihydrochloride?

This compound brings together a unique combination of structural features that stand out in the world of organic chemistry. The backbone, built on a cyclohepta[b]pyridin scaffold, ties together a blend of aromaticity and ring system flexibility, offering balance between rigidity and reactivity. The inclusion of a 2,3-difluorophenyl group introduces distinct electronic characteristics due to the electronegative nature of fluorine atoms, shaping how this molecule interacts with biological targets and other reagents. The chirality denoted by (5S,6S,9R) tells experienced chemists about the three-dimensional confirmation and how crucial stereochemistry remains in every step from synthesis to application. Dihydrochloride forms of a compound often enhance solubility and stability, which becomes essential when handling both research and production scales.

Products, Properties, and Structure

Products derived from this raw material find use in areas demanding precise molecular recognition, such as pharmaceutical research, advanced materials, and chemical synthesis support. As a raw material, it often appears as a solid, ranging from fine powder to crystalline flakes, with the possibility of forming pearlescent, dense particles depending on crystallization conditions. Many chemists appreciate the tactile differences—flaky solids spread easily, powders disperse rapidly, and denser pearls minimize potential airborne exposures. The crystalline nature aids in purity assessment by melting point determination and enhances identification through spectroscopic methods. Density often hovers in the expected range for comparable aromatic heterocycles combined with hydrochloride, making it easy for researchers to predict solution properties. Under normal conditions, it retains stability and resists rapid degradation, although prolonged exposure to moisture or high temperatures could provoke decomposition or loss of hydrochloride. As with many specialized chemicals, this compound has a molecular formula optimized for its function: C16H17Cl2F2N2O, showing a fine-tuned mass for medicinal chemistry operations.

Specifications and HS Code

Every shipment requires meticulous specification records to maintain reproducibility and compliance. Accurate mass, established by both calculated and experimental means, usually aligns closely, often in the 360-400 g/mol region, depending on exact formulation and hydration state. HS code assignment falls under 2933999099, the typical designation for complex organic pharmaceutical intermediates. Packaging relies on solid, airtight containers resistant to both acid and moisture, guarding against both physical loss and chemical transformation. Highly developed specifications list appearance, purity by HPLC (commonly above 98%), melting range, and sometimes polymorphic form, offering assurance and certainty across the supply chain. Certificate of analysis details may include elemental analysis, residual solvent levels, and compliance with hazardous materials shipping standards.

Chemical Nature, Density, and Safety Profile

The chemical profile extends beyond molecular formula. This hydrochloride form displays enhanced water solubility compared to the neutral base, a significant benefit in laboratory routines. Physical density, a routine yardstick for bulk measurements and solution preparation, typically lands around 1.3–1.4 g/cm³. The form—flakes, solid blocks, powder, or even crystalline pearls—often varies after synthesis and purification, affecting not just storage requirements but also the handling experience. Material stays white to off-white, reflecting high purity, while impurities can color the solid, tipping off quality control specialists. Flammability remains low, but fine powders always carry risk of dusting, which can create local irritation or, worse, introduce materials into sensitive analytical instruments.

Hazardous, Harmful, and Safe Handling

The harmful nature of this chemical draws from both structure and salt form. Hydrochloride salts can irritate skin, eyes, and mucous membranes. Despite not being classed as acutely toxic, cumulative exposure needs limits, so working in well-ventilated spaces and wearing appropriate gloves, goggles, and lab coats stands as a requirement, not an option. Consulting the MSDS reveals further insights: avoid inhaling dust, wash thoroughly after handling, and use properly labeled waste containers for disposal. Emergency response procedures call for copious washing with water after eye or skin exposure, and safe storage mandates cool, dry, labeled locations away from oxidizers and incompatible materials. For large-scale use, fume hoods or active ventilation cut down on fugitive particles and hydrochloric acid vapors that sometimes build up in high-moisture environments.

Raw Materials and Broader Implications

The journey starts with specialized precursors—difluorobenzene derivatives, nitrogen-containing cyclic intermediates, and high-purity hydrogen chloride. These input materials flow from tightly regulated chemical supply chains, reflecting increased global scrutiny of both transport and end-use of such advanced substances. Raw materials must exhibit exceptional purity, as even trace impurities impact biological assays and downstream production. The manufacture takes skillful control of stereochemistry, keeping the (5S,6S,9R) pattern intact, and calls for expert-level purification, often using chromatography and repeated crystallizations. These challenges reflect why costs for such compounds can exceed baseline commodity chemicals by orders of magnitude. Strong record-keeping, audited suppliers, and transparent documentation provide the foundation for trust—something that law, industry, and end users now demand as part of broader E-E-A-T principles.

Solutions and Forward Steps

Protecting workers means investing in high-quality PPE, accessible chemical safety information, and regular training. Supporting research requires sustained access to certified raw materials and robust analytical support—trusted suppliers, validated methods, and built-in redundancy so no single error compromises an entire batch. The globalized nature of the market means tracking HS codes, monitoring changing regulation, and collaborating across research and compliance. Looking toward the future, investments in green chemistry and alternative, less hazardous synthetic routes can lower risk and environmental impact without sacrificing performance. Through openness, reliability, and careful stewardship, new materials like this can open doors to safer medicines, novel technologies, and greater scientific understanding, provided they are handled with the respect and precision they command.