Description

Isoxazole, 3,4-Diethyl-5-Isocyanato- (9Ci) is a specialized heterocyclic building block containing a reactive isocyanate functional group. This compound is valued for its role as a key intermediate in the synthesis of more complex molecules, particularly in advanced material science and pharmaceutical research. It is primarily sought by R&D chemists and process development scientists in the agrochemical, pharmaceutical, and polymer industries for constructing novel compounds with tailored properties.

Application

• Pharmaceutical Intermediate: Serves as a crucial building block in the synthesis of novel active pharmaceutical ingredients (APIs), particularly for candidates with heterocyclic cores.
• Agrochemical Synthesis: Used in the research and development of new herbicides, fungicides, and insecticides, leveraging the isoxazole ring's bioactivity.
• Polymer & Material Science: Acts as a monomer or cross-linking agent in the production of specialty polymers, polyurethanes, and coatings, where the isocyanate group enables chain extension.
• Chemical Research: Employed in academic and industrial laboratories for method development and the creation of custom chemical libraries for screening.
• Ligand & Catalyst Development: Utilized to synthesize novel ligands or organocatalysts for asymmetric synthesis and other catalytic processes.

Basic Information

Product Name	Isoxazole, 3,4-Diethyl-5-Isocyanato- (9Ci)
CAS No.	71378-41-1
Molecular Formula	C8H10N2O2
Molecular Weight	166.18 g/mol
Synonyms	3,4-Diethyl-5-isocyanatoisoxazole; 5-Isocyanato-3,4-diethylisoxazole; 3,4-Diethylisoxazol-5-yl isocyanate; Isoxazole-5-isocyanate, 3,4-diethyl-; 71378-41-1; 5-Isocyanato-3,4-diethyl-1,2-oxazole
EINECS	Contact for details

Quality Control

Our Isoxazole, 3,4-Diethyl-5-Isocyanato- (9Ci) is produced under strict quality management protocols. Each batch undergoes comprehensive analytical testing, including HPLC, GC, and NMR, to ensure identity, purity, and consistency. Certificates of Analysis (COA) documenting all critical parameters are available upon request to support your quality assurance and regulatory needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place. Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent degradation. Recommended storage temperature is 2-8°C for long-term stability.

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.