Description

3-Isoxazolecarbonylisocyanate,5-Methyl-(9Ci) is a specialized heterocyclic isocyanate derivative, serving as a critical building block in advanced organic synthesis. Its value lies in its highly reactive isocyanate group, which enables the efficient construction of complex molecular architectures, particularly in the development of novel active ingredients. This compound is essential for researchers and process chemists in the pharmaceutical and agrochemical industries, where it is used to synthesize new compounds with potential biological activity.

Application

• Pharmaceutical Intermediate: A key synthon for the development of novel active pharmaceutical ingredients (APIs), particularly in medicinal chemistry programs targeting new therapeutic agents.
• Agrochemical Synthesis: Used in the research and production of next-generation pesticides, herbicides, and fungicides, leveraging its isoxazole moiety for bioactivity.
• Polymer Chemistry: Functions as a monomer or cross-linking agent in the synthesis of specialty polymers, such as polyurethanes and polyureas, with tailored properties for high-performance materials.
• Chemical Research & Development: Employed in academic and industrial R&D labs as a versatile reagent for constructing heterocyclic compounds and exploring new chemical spaces.
• Ligand and Catalyst Development: Serves as a precursor for creating specialized ligands or organocatalysts used in asymmetric synthesis and other catalytic processes.

Basic Information

Item	Details
Product Name	3-Isoxazolecarbonylisocyanate,5-Methyl-(9Ci)
CAS No.	37071-01-5
Molecular Formula	C6H4N2O3
Molecular Weight	152.11 g/mol
Synonyms	5-Methyl-3-isoxazolecarbonyl isocyanate; 5-Methylisoxazole-3-carbonyl isocyanate; 5-Methyl-1,2-oxazole-3-carbonyl isocyanate; 5-Methylisoxazole-3-carboxylic acid isocyanate; 3-Isocyanatocarbonyl-5-methylisoxazole; 5-Methyl-3-isoxazolylcarbonyl isocyanate; 37071-01-5; 5-Methylisoxazole-3-carbonyl isocyanate (9CI)
EINECS	Contact for details

Quality Control

Our production of 3-Isoxazolecarbonylisocyanate,5-Methyl-(9Ci) adheres to stringent quality protocols to ensure batch-to-batch consistency and reliability for your critical syntheses. Each lot undergoes comprehensive analytical testing, including HPLC for purity and identity confirmation by FT-IR and NMR. A detailed Certificate of Analysis (COA) is provided with every shipment, documenting all relevant specifications to support your quality management systems and regulatory 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). This compound is hygroscopic (moisture-sensitive) and must be kept under an inert atmosphere (e.g., nitrogen or argon) in its original sealed packaging to prevent degradation from atmospheric moisture.

Specification

Item	Specification
Appearance	White to off-white crystalline solid or powder
Identification (IR)	Conforms to reference spectrum
Purity (HPLC)	≥ 98.0%
Water Content (Karl Fischer)	≤ 0.5%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.