Description

Isoxazole, 3-(1,1-Dimethylethyl)-5-Isocyanato- (9Ci) is a specialized isocyanate-functionalized heterocyclic compound, serving as a critical building block in advanced organic synthesis. Its value lies in the highly reactive isocyanate group, which enables the formation of urethane, urea, and other linkages, making it indispensable for creating polymers and fine chemicals with tailored properties. This product is primarily needed by R&D chemists and process engineers in the pharmaceutical, agrochemical, and high-performance materials industries for developing novel active ingredients and functional polymers.

Application

• Pharmaceutical Intermediate: Key synthon for the development of novel drug candidates, particularly those containing the isoxazole pharmacophore.
• Agrochemical Synthesis: Used in the production of advanced pesticides and herbicides, where the isoxazole ring contributes to biological activity.
• Polymer Modification: Acts as a cross-linking agent or chain extender in polyurethane and polyurea systems to enhance material properties like durability and chemical resistance.
• Specialty Coatings & Adhesives: Incorporated into formulations to improve adhesion, flexibility, and curing characteristics of high-performance coatings.
• Chemical Research (R&D): A versatile reagent for exploring new synthetic pathways and creating custom molecular architectures in academic and industrial laboratories.
• Ligand & Catalyst Development: Serves as a precursor for synthesizing specialized ligands used in catalytic processes.

Basic Information

Product Name	Isoxazole, 3-(1,1-Dimethylethyl)-5-Isocyanato- (9Ci)
CAS No.	59669-71-5
Molecular Formula	C8H10N2O2
Molecular Weight	166.18 g/mol
Synonyms	5-Isocyanato-3-tert-butylisoxazole; 3-tert-Butyl-5-isocyanatoisoxazole; 3-(tert-Butyl)-5-isocyanato-1,2-oxazole; tert-Butyl 5-isocyanatoisoxazole-3-carboxylate (related ester); 59669-71-5; 3-(1,1-Dimethylethyl)-5-isocyanatoisoxazole
EINECS	Contact for details

Quality Control

Every batch of Isoxazole, 3-(1,1-Dimethylethyl)-5-Isocyanato- (9Ci) undergoes rigorous analytical testing to ensure high purity and consistency, meeting the stringent requirements of research and industrial synthesis. Our quality assurance protocols are designed to provide reliable and reproducible performance for your critical processes. A comprehensive Certificate of Analysis (COA) detailing purity, identity, and impurity profiles is available upon request for full traceability and compliance.

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). Due to its moisture-sensitive (hygroscopic) nature, the container must be kept tightly 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.