Description

2(3H)-Isoxazolecarbonyl Chloride, 3-Oxo- (9Ci) is a highly reactive acid chloride derivative of an isoxazole heterocycle, serving as a critical building block in advanced organic synthesis. This compound matters for its ability to efficiently introduce the 3-oxo-isoxazole-2-carbonyl moiety, a valuable scaffold in medicinal chemistry and material science. It is primarily needed by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and specialty chemical industries for constructing novel molecules with targeted biological or physical properties. The CAS number for this compound is 54625-54-6.

Application

This versatile chemical intermediate enables the synthesis of complex molecules across several high-value sectors.

• Pharmaceutical Intermediates: Key building block for synthesizing potential drug candidates, particularly those containing the isoxazole pharmacophore for anti-inflammatory, antimicrobial, or CNS activity.
• Agrochemical Synthesis: Used in the research and development of novel herbicides, fungicides, and insecticides, where the isoxazole ring can contribute to biological efficacy.
• Peptide Mimetics & Bioconjugation: The reactive acid chloride group facilitates coupling reactions to create peptide analogs or for labeling biomolecules in probe development.
• Polymer & Material Science: Serves as a monomer or cross-linking agent for introducing heterocyclic units into polymers, potentially altering thermal stability, solubility, or optical properties.
• Ligand & Catalyst Development: Useful for constructing specialized chelating ligands used in catalysis or metal-organic frameworks (MOFs).
• Custom Synthesis & Contract Research: An essential reagent for fine chemical manufacturers and CROs/CMOs engaged in custom synthesis projects for clients.

Basic Information

Product Name	2(3H)-Isoxazolecarbonyl Chloride, 3-Oxo- (9Ci)
CAS No.	54625-54-6
Molecular Formula	C4H2ClNO3
Molecular Weight	147.52 g/mol
Synonyms	3-Oxo-2,3-dihydroisoxazole-2-carbonyl chloride; 3-Oxoisoxazolidine-2-carbonyl chloride; 2,3-Dihydro-3-oxoisoxazole-2-carbonyl chloride; Isoxazolidine-2-carbonyl chloride, 3-oxo-; 3-Oxoisoxazole-2-carbonyl chloride; 2-Carbonyl chloride-3-oxoisoxazolidine; 54625-54-6; 3-Oxo-2-isoxazolecarbonyl chloride
EINECS	Contact for details

Quality Control

Our 2(3H)-Isoxazolecarbonyl Chloride, 3-Oxo- (9Ci) is produced and handled under strict quality management protocols. Each batch undergoes rigorous analytical testing, including HPLC, NMR, and IR spectroscopy, to ensure identity, purity, and consistency. We provide comprehensive Certificates of Analysis (COA) with every shipment, detailing all relevant specifications. Our quality systems are designed to support cGMP and ISO standards for customers in regulated industries.

Storage

Preserve in a tightly closed container, protected from light. Due to its hygroscopic (moisture-sensitive) nature and reactivity as a strong acid/organic solvent derivative, store under an inert atmosphere (e.g., nitrogen or argon) in a cool, dry, and well-ventilated place. Recommended storage temperature is 2-8°C for long-term stability. Keep away from moisture, heat, and incompatible materials such as bases, alcohols, and amines.

Specification

Item	Specification
Appearance	White to off-white crystalline solid or powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Related Substances (HPLC)	Total impurities ≤ 3.0%

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