(E)-2-(5-Fluoro-1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)-5-(phenyldiazenyl)pyrimidine-4,6-diamine is a specialty compound that draws significant interest among research chemists and industrial developers due to its unique molecular features. Structurally, this molecule integrates a pyrazolopyridine backbone, two fluorinated aromatic rings, and a phenyldiazenyl group. Its design supports explorations in medicinal chemistry, organic synthesis, and material science. The presence of fluorine atoms in both the benzyl and pyridine rings distinguishes this compound, adding to its chemical reactivity and electronic properties. Research efforts focus on these features to advance new pharmaceuticals, specialty dyes, and advanced materials. Synthesis often starts with raw materials like pyrimidine derivatives, fluoronitrobenzenes, and benzyl halides, which chemists manipulate through steps including diazotization, nucleophilic substitution, and condensation.
This substance generally occurs in the form of off-white to pale yellow flakes or powder, though crystals may appear under laboratory crystallization. Its solid state at room temperature offers stability for transport and storage. Experienced chemists know the solid form allows for more accurate measurement during reaction setup, while flakes and crystalline powder enhance solubility in organic solvents. The density hovers near 1.4–1.6 g/cm³, reflecting its healthy molecular weight, which clocks in around 461 g/mol. The molecular formula reads C21H14F2N8, capturing the essence of its complexity. The addition of fluorine influences lipophilicity and electron distribution, directing the molecule’s behavior both in solution and in solid matrices. This compound demonstrates low volatility and a melting point in the range of 180–200°C, consistent with other aromatic heterocycles fused with diazenyl and fluorine functional groups. Solubility leans toward polar aprotic solvents; acetonitrile, dimethyl sulfoxide, and N,N-dimethylformamide dissolve it well, while water solubility remains limited. In solution, the pale yellow coloration persists, which operators observe during analytical or preparative chromatography.
Product applications trace back to the interplay of electronic features and rigidity within the skeleton. In drug discovery, these fused ring systems stir interest as potential kinase inhibitors, given their planar conformations and hydrogen bond donors and acceptors. Material scientists look at the phenyldiazenyl segment for light-absorbing properties, which influence dye fabrication and optical data storage. Chemical suppliers market this compound in standard bottles ranging from grams up to multiple kilograms. Purity levels often exceed 97%, a benchmark obtained through high-performance liquid chromatography (HPLC) and nuclear magnetic resonance (NMR). Key specifications include appearance (off-white or yellow powder or solid), molecular weight (461.4 g/mol), melting point, density, and spectral data for batch-to-batch assurance. HS Code designations typically fall under 2933.99 for heterocyclic compounds with nitrogen heteroatoms, streamlining exports and imports across regions. Industry raw material buyers focus on batch consistency, documented analytical data, and clear hazard communication, ensuring compliance with regulatory standards.
Most shipments reach laboratories as flakes, crystalline powder, or sometimes as larger crystal fragments. Bulk forms allow easy weighing, while laboratory recipients appreciate fine powders for analytical methods. Liquids and solutions rarely occur, except when dissolved for specific synthetic steps or high-throughput screening. Packaging follows safety regulations, employing tamper-proof containers and moisture barriers to prevent hydrolysis or accidental exposure. Experienced handlers recognize the tendency of fine powders to become airborne, so working in a fume hood and using powder funnels remains standard. To minimize loss, anti-static measures and controlled environments matter during transfer or weighing. Suppliers provide batch-specific data sheets summarizing form, density, lot number, and date of manufacture, which facilitate traceability in regulated environments.
Dealing with this compound warrants caution, as many diazenyl derivatives and polyfluorinated aromatic compounds display varying degrees of toxicity. Exposure routes include inhalation, skin contact, and accidental ingestion. Operators rely on lab coats, gloves, and protective eyewear. Harmful effects center on mucous membrane irritation, respiratory discomfort, and possible effects on liver enzymes at high exposures. Owing to the aromatic nitrogen moieties, proper storage mitigates risk of oxidative or light-triggered decomposition. Disposal follows all chemical waste protocols; incineration in controlled settings breaks down hazardous residues, reducing environmental persistence. Manufacturers and shippers label packages with clear hazard pictograms and precautionary statements based on the Globally Harmonized System (GHS), educating handlers on risks without resorting to fear-based messaging. Facilities storing or processing this material must maintain spill kits, ventilation, and first-aid supplies for worst-case scenarios. Ongoing research evaluates the compound’s bioaccumulation and environmental fate, but best practice keeps it away from aquatic drains and municipal waste streams.
Supply chain and regulatory hurdles shape the compound’s industrial deployment. Stringent purity checks, trace metal analysis, and impurity profiling shore up confidence among developers of active pharmaceutical ingredients. Experienced chemists and procurement managers keep strong communication with suppliers, regularly requesting batch documentation, Certificates of Analysis, and safety reports. To address hazardous potential, manufacturers design closed-system synthesis to limit waste and vent emissions through scrubbers. Emerging technologies focus on greener synthesis pathways, using milder reagents, solvent recycling, and less hazardous raw materials to minimize risks and environmental impact. In end-use applications like medicinal chemistry, high-throughput screening utilizes microgram quantities to celebrate efficiency, reducing both human exposure and chemical footprint. Academic-industry collaborations help analyze long-term environmental effects, influencing legislative frameworks and promoting safer alternatives.
Handling and working with (E)-2-(5-Fluoro-1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)-5-(phenyldiazenyl)pyrimidine-4,6-diamine underscores the partnership between chemistry, safety, and sustainable best practices. Chemists balance curiosity and caution, relying on solid factual knowledge about its molecular architecture, detailed physical properties, handling instructions, and clear pathways from raw material procurement to finished product application. The landscape continues to evolve with regulatory insights and new synthetic workflows supporting safer, smarter, and more responsible chemical innovation.
