Description

5-Isoxazolecarbonylisocyanate,3-Methyl-(9Ci) is a specialized heterocyclic isocyanate building block used in advanced organic synthesis. This compound matters for its role as a key precursor in the development of novel agrochemicals and pharmaceutical intermediates, enabling the introduction of the isoxazole pharmacophore. Chemical R&D departments in the agrochemical, pharmaceutical, and fine chemical industries need this high-purity reagent to synthesize compounds with potential biological activity.

Application

• Agrochemical Intermediate: A critical building block for the synthesis of novel herbicides, fungicides, and insecticides that leverage the isoxazole ring system.
• Pharmaceutical Research: Used in medicinal chemistry for creating potential drug candidates, particularly in areas targeting enzyme inhibition.
• Polymer Modification: Serves as a reactive monomer or cross-linking agent for introducing heterocyclic units into specialty polymers, affecting material properties.
• Ligand Synthesis: Employed in the preparation of complex ligands for catalysis and material science applications.
• Custom Synthesis: A valuable starting material for contract research organizations (CROs) and fine chemical manufacturers producing bespoke compounds for clients.

Basic Information

Product Name	5-Isoxazolecarbonylisocyanate,3-Methyl-(9Ci)
CAS No.	38027-57-5
Molecular Formula	C6H4N2O3
Molecular Weight	152.11 g/mol
Synonyms	3-Methyl-5-isoxazolecarbonyl isocyanate; 5-Isocyanato-3-methylisoxazole; 3-Methylisoxazole-5-carbonyl isocyanate; 3-Methyl-1,2-oxazole-5-carbonyl isocyanate; 3-Methyl-5-isoxazolylcarbonyl isocyanate; Isocyanic acid 3-methyl-5-isoxazolyl ester; (3-Methyl-5-isoxazolyl)carbonyl isocyanate
EINECS	Contact for details

Quality Control

Our 5-Isoxazolecarbonylisocyanate,3-Methyl-(9Ci) is manufactured under strict quality protocols. Each batch undergoes rigorous analytical testing, including HPLC for purity and identity confirmation by 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 room temperature (15-25°C). Due to its hygroscopic and moisture-sensitive nature, the container must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent degradation.

Specification

Item	Specification
Appearance	White to off-white crystalline solid or powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Assay	≥ 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.