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Comprehensive Overview of 3-Phenyl-4-benzyl-5-methylisoxazole (CAS No. 139395-94-1): Properties, Applications, and Industry Insights

3-Phenyl-4-benzyl-5-methylisoxazole (CAS No. 139395-94-1) is a specialized heterocyclic compound belonging to the isoxazole family, which has garnered significant attention in pharmaceutical and agrochemical research. This compound features a unique molecular structure combining a phenyl group, a benzyl substituent, and a methyl group attached to the isoxazole ring, making it a versatile intermediate for synthetic applications. Its CAS number 139395-94-1 serves as a critical identifier for researchers and regulatory bodies, ensuring precise classification in chemical databases.

The growing interest in 3-Phenyl-4-benzyl-5-methylisoxazole aligns with broader trends in drug discovery and material science. Recent studies highlight its potential as a bioactive scaffold, particularly in modulating enzyme activity or serving as a precursor for small-molecule therapeutics. Users frequently search for terms like "isoxazole derivatives uses" or "CAS 139395-94-1 solubility," reflecting demand for practical data on its physicochemical properties (e.g., melting point: ~120–125°C, logP ~3.5) and compatibility with organic solvents.

From an industrial perspective, this compound’s synthesis often involves cyclocondensation reactions between hydroxylamine derivatives and diketones, a topic frequently queried as "how to synthesize 3-Phenyl-4-benzyl-5-methylisoxazole." Optimized routes emphasize atom economy and green chemistry principles, addressing sustainability concerns in fine chemical production. Analytical techniques like HPLC and NMR are essential for purity verification, with impurities typically monitored below 0.5% for pharmaceutical-grade material.

Emerging applications of CAS 139395-94-1 include its role in developing fluorescence probes and polymeric materials, capitalizing on the isoxazole ring’s photostability. Searches for "isoxazole in OLEDs" or "139395-94-1 supplier" indicate cross-disciplinary relevance. Regulatory compliance remains paramount; while not classified as hazardous, proper personal protective equipment (PPE) such as gloves and goggles is recommended during handling.

In conclusion, 3-Phenyl-4-benzyl-5-methylisoxazole exemplifies the intersection of innovation and practicality in modern chemistry. Its CAS registry number 139395-94-1 ensures traceability, while ongoing research expands its utility in life sciences and advanced materials. For researchers, staying updated on synthetic protocols and safety data sheets (SDS) is crucial to leveraging its full potential.

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