Description

Isoxazole, 5-Isocyanato-3-(1-Methylethyl)- (9Ci) is a specialized isocyanate-functionalized heterocyclic compound, identified by CAS No. 59669-73-7. This chemical serves as a critical building block for synthesizing advanced polymers and fine chemicals, offering a unique reactive site for creating tailored molecular architectures. It is primarily sought after by R&D chemists and process engineers in the agrochemical and pharmaceutical industries for developing novel active ingredients and high-performance materials.

Application

• Agrochemical Intermediate: A key precursor in the synthesis of novel herbicides, fungicides, and insecticides, leveraging the reactive isocyanate group to form urea or carbamate linkages in active molecules.
• Pharmaceutical Research: Used in medicinal chemistry for constructing isoxazole-based scaffolds, which are valuable in drug discovery for their potential biological activity.
• Polymer & Resin Modification: Functions as a cross-linking agent or chain extender in polyurethane and specialty polymer systems, enhancing material properties like durability and chemical resistance.
• Fine Chemical Synthesis: Employed as a versatile intermediate for creating complex heterocyclic compounds in custom synthesis and contract manufacturing projects.

Basic Information

Product Name	Isoxazole, 5-Isocyanato-3-(1-Methylethyl)- (9Ci)
CAS No.	59669-73-7
Molecular Formula	C7H8N2O2
Molecular Weight	152.15 g/mol
Synonyms	5-Isocyanato-3-isopropylisoxazole; 3-Isopropyl-5-isocyanatoisoxazole; 5-Isocyanato-3-(propan-2-yl)-1,2-oxazole; Isocyanic Acid, (3-Isopropyl-5-isoxazolyl) Ester; 59669-73-7; 3-(1-Methylethyl)-5-isocyanatoisoxazole
EINECS	Contact for details

Quality Control

Our Isoxazole, 5-Isocyanato-3-(1-Methylethyl)- (9Ci) is produced under stringent quality management protocols. Each batch undergoes comprehensive analytical testing, including assay by HPLC and identification by FT-IR and NMR, to ensure high purity and consistent performance. Certificates of Analysis (COA) detailing all specifications are available upon request to support your quality assurance and regulatory compliance needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed under a dry inert atmosphere (e.g., nitrogen or argon) to prevent degradation from moisture ingress.

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.