Description

5-Methyl-3-Phenyl-4-Isoxazolyl Isocyanate is a specialized organic building block featuring a reactive isocyanate group attached to a substituted isoxazole heterocycle. This compound is valued for its role as a key intermediate in the synthesis of advanced heterocyclic compounds, particularly in pharmaceutical and agrochemical research. It is primarily sought by R&D chemists and process development scientists working on novel active ingredients, including potential herbicides, fungicides, and pharmaceutical candidates.

Application

• Pharmaceutical Intermediate: A crucial building block for the synthesis of novel drug candidates, particularly those targeting central nervous system (CNS) disorders or infectious diseases.
• Agrochemical Research: Used in the development of next-generation herbicides and fungicides, leveraging the biological activity of the isoxazole scaffold.
• Polymer Modification: Serves as a reactive monomer or cross-linking agent for producing specialty polyurethanes and polyurea coatings with enhanced properties.
• Chemical Synthesis: Acts as a versatile electrophile in organic synthesis for introducing the 5-methyl-3-phenyl-4-isoxazolyl moiety into more complex molecular architectures.
• Material Science: Potential use in creating advanced functional materials, such as liquid crystals or polymers with specific optical or mechanical traits.

Basic Information

Product Name	5-Methyl-3-Phenyl-4-Isoxazolyl Isocyanate
CAS No.	268748-84-1
Molecular Formula	C11H8N2O2
Molecular Weight	200.20 g/mol
Synonyms	4-Isocyanato-5-methyl-3-phenylisoxazole; 3-Phenyl-5-methyl-4-isoxazolyl isocyanate; 5-Methyl-3-phenyl-1,2-oxazol-4-yl isocyanate; Isocyanic acid, 5-methyl-3-phenyl-4-isoxazolyl ester; 4-Isoxazolyl isocyanate, 5-methyl-3-phenyl-
EINECS	Contact for details

Quality Control

Every batch of 5-Methyl-3-Phenyl-4-Isoxazolyl Isocyanate is manufactured and tested under strict quality management protocols. We provide comprehensive analytical data to ensure identity, purity, and consistency for your critical research and development processes. A detailed Certificate of Analysis (COA) is supplied with each shipment, confirming compliance with agreed specifications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (15-25°C). This product is hygroscopic (moisture-sensitive) and must be kept under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent degradation. Keep away from heat, sparks, and open flame.

Specification

Item	Specification
Appearance	White to off-white crystalline solid or powder
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%

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