Description

4-Isocyanato-3-Methyl-5-Phenylisoxazole is a specialized heterocyclic isocyanate building block used in advanced organic synthesis. This compound is valued for its unique reactivity profile, enabling the creation of novel isoxazole-based polymers and small molecules with tailored properties. It is primarily sought by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and advanced materials industries for constructing complex molecular architectures.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of novel drug candidates, particularly those targeting central nervous system (CNS) disorders and anti-inflammatory pathways.
• Agrochemical Synthesis: Used in the research and development of next-generation herbicides, fungicides, and insecticides with enhanced efficacy and selectivity.
• Polymer & Material Science: Serves as a monomer or cross-linking agent for producing high-performance polyurethanes, polyisocyanurates, and specialty coatings with improved thermal and chemical resistance.
• Chemical Research: A versatile reagent for constructing isoxazole-based heterocycles, peptidomimetics, and other complex organic frameworks in academic and industrial laboratories.
• Ligand & Catalyst Development: Employed in the design of novel chelating ligands and organocatalysts for asymmetric synthesis and metal-organic frameworks (MOFs).

Basic Information

Product Name	4-Isocyanato-3-Methyl-5-Phenylisoxazole
CAS No.	352018-89-4
Molecular Formula	C11H8N2O2
Molecular Weight	200.20 g/mol
Synonyms	3-Methyl-5-phenyl-4-isocyanatoisoxazole; 5-Phenyl-3-methyl-4-isocyanatoisoxazole; 4-Isocyanato-3-methyl-5-phenyl-1,2-oxazole; 3-Methyl-5-phenylisoxazol-4-yl isocyanate; Isocyanic acid, (3-methyl-5-phenyl-4-isoxazolyl) ester
EINECS	Contact for details

Quality Control

Our products undergo rigorous quality testing to ensure compliance with industry standards. Each batch is characterized using advanced analytical techniques to guarantee identity, purity, and consistency. Certificates of Analysis (COA) with detailed chromatographic and spectroscopic data are available upon request. We adhere to strict in-process controls to meet the exacting requirements of research and development applications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at a controlled room temperature (15-25°C). Due to its hygroscopic and moisture-sensitive nature, the container must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent degradation from atmospheric moisture. Keep away from heat, sparks, and open flames.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Melting Point	Contact for details
Water Content (KF)	≤ 0.5%
Heavy Metals	≤ 20 ppm

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.