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• Solvents and Organic Chemicals Organic Compounds Benzenoids Benzene and substituted derivatives Benzonitriles
• Solvents and Organic Chemicals Organic Compounds cyanides/Cyanides

Comprehensive Overview of 5-(3-Cyanophenyl)isoxazole-3-carboxylic acid (CAS No. 956360-07-9): Properties, Applications, and Research Insights

5-(3-Cyanophenyl)isoxazole-3-carboxylic acid (CAS 956360-07-9) is a specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research due to its unique structural features. This isoxazole derivative combines a cyanophenyl moiety with a carboxylic acid functional group, making it a versatile intermediate for synthesizing bioactive molecules. Its molecular formula, C₁₁H₆N₂O₃, and precise molecular weight (214.18 g/mol) are critical for quality control in industrial applications.

The compound’s isoxazole ring is known for its stability and ability to participate in hydrogen bonding, which enhances its utility in drug design. Researchers frequently explore its potential as a kinase inhibitor scaffold or a ligand for metalloenzymes, aligning with current trends in targeted cancer therapies and enzyme modulation. Recent studies highlight its role in developing anti-inflammatory agents, a hot topic given the global focus on chronic disease management.

From a synthetic chemistry perspective, 5-(3-Cyanophenyl)isoxazole-3-carboxylic acid is often synthesized via cyclization reactions between 3-cyanophenyl precursors and hydroxylamine derivatives. Its carboxylic acid group allows for further derivatization, such as esterification or amide formation, which is pivotal for structure-activity relationship (SAR) studies. This adaptability makes it a high-value building block in medicinal chemistry.

In the context of green chemistry—a trending search term—researchers are optimizing its synthesis to reduce hazardous byproducts. Solvent-free reactions and catalytic methods are being explored to align with sustainability goals, addressing user queries about eco-friendly chemical production. Analytical techniques like HPLC and NMR are essential for purity verification, ensuring compliance with regulatory standards.

The compound’s physicochemical properties—such as solubility in polar solvents (e.g., DMSO) and melting point (~250°C)—are frequently searched by formulators. These parameters influence its applicability in drug delivery systems, another high-interest area. Its logP value (estimated at 1.8) suggests moderate lipophilicity, which is advantageous for balancing bioavailability and membrane permeability.

Beyond pharmaceuticals, 5-(3-Cyanophenyl)isoxazole-3-carboxylic acid finds niche applications in material science, particularly in designing fluorescent probes due to its conjugated system. This aligns with the growing demand for bioimaging tools in diagnostics. Patent databases reveal its inclusion in OLED materials, catering to the electronics industry’s search for efficient emitters.

For researchers sourcing this compound, keywords like "buy 5-(3-Cyanophenyl)isoxazole-3-carboxylic acid" or "CAS 956360-07-9 supplier" are common. Reputable suppliers provide GC/MS-certified batches with detailed COA (Certificate of Analysis), addressing quality concerns. Storage recommendations (e.g., desiccated, 2–8°C) are critical to maintain stability, a frequent query among lab technicians.

In summary, 5-(3-Cyanophenyl)isoxazole-3-carboxylic acid exemplifies the intersection of structural ingenuity and multidisciplinary utility. Its relevance in drug discovery, sustainable synthesis, and advanced materials ensures continued interest, reflected in both academic literature and commercial demand. Future research may explore its catalytic applications or bioconjugation potential, further expanding its scientific footprint.

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