Description

Isoxazole, 5-Isocyanato-3-Propyl- (9Ci) is a specialized isocyanate-functionalized heterocyclic compound, identified by CAS 59669-72-6. This molecule is valued for its dual reactivity, featuring both an isocyanate group and an isoxazole ring, making it a versatile building block for advanced material synthesis. It is primarily sought by R&D chemists and process engineers in the pharmaceutical and agrochemical sectors for developing novel active ingredients and performance polymers.

Application

• Pharmaceutical Intermediate: Serves as a key synthon for the development of novel drug candidates, particularly those targeting central nervous system (CNS) disorders and anti-inflammatory applications.
• Agrochemical Synthesis: Used in the research and production of advanced herbicides and fungicides, where the isoxazole moiety can contribute to biological activity.
• Polymer & Resin Modification: Acts as a reactive monomer or cross-linking agent in polyurethane and specialty polymer systems to introduce heterocyclic structures, enhancing thermal stability and adhesion properties.
• Chemical Research (R&D): Employed in academic and industrial laboratories for exploring new organic reactions and synthesizing complex molecular architectures.
• Coatings & Adhesives: Incorporated into high-performance coating formulations to improve durability, chemical resistance, and weatherability.

Basic Information

Product Name	Isoxazole, 5-Isocyanato-3-Propyl- (9Ci)
CAS No.	59669-72-6
Molecular Formula	C7H8N2O2
Molecular Weight	152.15 g/mol
Synonyms	5-Isocyanato-3-propylisoxazole; 3-Propyl-5-isocyanatoisoxazole; 5-Isocyanato-3-propyl-1,2-oxazole; Isoxazole, 5-isocyanato-3-propyl-; 59669-72-6; 3-Propylisoxazol-5-yl isocyanate
EINECS	Contact for details

Quality Control

Our products undergo rigorous quality testing to ensure compliance with industry standards for research and industrial use. Each batch is analyzed to confirm identity, purity, and the absence of critical impurities. Certificates of Analysis (COA) are available upon request, detailing specific parameters such as assay (by HPLC), water content, and related substances.

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 (moisture-sensitive) nature, the container must be kept sealed 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	Colorless to pale yellow liquid
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.