Description

Isoxazole, 3-Isocyanato-5-(1-Methylethyl)- (9Ci) CAS NO 55809-55-7 is a specialized isocyanato-functionalized isoxazole derivative, serving as a critical building block in advanced organic synthesis. This compound is valued for its reactive isocyanate group, which enables the formation of ureas, carbamates, and other functional materials through addition reactions. It is primarily sought by R&D chemists and process engineers in the pharmaceutical and agrochemical industries for developing novel active ingredients and performance chemicals.

Application

• Pharmaceutical Intermediate: Key synthon for the development of novel drug candidates, particularly in medicinal chemistry programs targeting heterocyclic scaffolds.
• Agrochemical Synthesis: Used in the research and production of advanced pesticides and herbicides, where the isoxazole ring contributes to biological activity.
• Polymer & Material Science: Serves as a monomer or cross-linking agent in the synthesis of specialty polymers, coatings, and adhesives with tailored properties.
• Chemical Research: A versatile reagent in academic and industrial R&D labs for exploring new reaction pathways and creating complex molecular architectures.
• Ligand & Catalyst Development: Potential precursor for synthesizing specialized ligands used in catalytic systems and coordination chemistry.

Basic Information

Product Name	Isoxazole, 3-Isocyanato-5-(1-Methylethyl)- (9Ci)
CAS No.	55809-55-7
Molecular Formula	C7H8N2O2
Molecular Weight	152.15 g/mol
Synonyms	3-Isocyanato-5-isopropylisoxazole; 5-Isopropyl-3-isocyanatoisoxazole; 3-Isocyanato-5-(propan-2-yl)-1,2-oxazole; 3-Isocyanato-5-(1-methylethyl)isoxazole; Isocyanic Acid, (5-Isopropyl-3-isoxazolyl) Ester; Isoxazole-3-isocyanate, 5-isopropyl-; (5-Isopropylisoxazol-3-yl) isocyanate
EINECS	Contact for details

Quality Control

Our Isoxazole, 3-Isocyanato-5-(1-Methylethyl)- (9Ci) is produced under stringent quality management protocols. Each batch undergoes rigorous analytical testing, including HPLC for purity and identity confirmation by FT-IR and NMR spectroscopy, to ensure it meets the high standards required for research and process chemistry. A comprehensive Certificate of Analysis (COA) detailing purity, assay, and impurity profiles is provided with every shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at 2-8°C under an inert atmosphere (e.g., nitrogen or argon) due to its moisture-sensitive (hygroscopic) and reactive nature. Keep away from heat, open flames, and sources of ignition. Isocyanate-containing materials should be stored separately from amines, alcohols, and other nucleophiles.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (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.