Description

2(3H)-Isoxazolecarbonyl Chloride, 5-Methyl-3-Oxo- (9Ci) is a highly reactive and versatile chemical intermediate, specifically an acid chloride derivative of a substituted isoxazolone. This compound is critical for introducing the 5-methyl-3-oxoisoxazole moiety into more complex molecular architectures, enabling advanced synthesis in specialized chemical development. It is primarily sought by research chemists and process development scientists in the pharmaceutical and agrochemical industries for constructing novel active ingredients and fine chemicals.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of novel drug candidates, particularly those targeting central nervous system (CNS) disorders, inflammation, and infectious diseases.
• Agrochemical Synthesis: Used in the research and development of new herbicides, fungicides, and insecticides, leveraging its heterocyclic structure for bioactivity.
• Fine Chemical Production: Serves as a precursor for creating specialized dyes, pigments, and functional materials requiring the isoxazolone scaffold.
• Academic & Contract Research: Essential reagent in university and CRO (Contract Research Organization) laboratories for methodological studies and exploring new chemical spaces.
• Peptide Mimetic & Bioconjugation: The reactive carbonyl chloride group allows for amide bond formation, useful in creating peptide analogs or bioconjugation linkers.

Basic Information

Product Name	2(3H)-Isoxazolecarbonyl Chloride, 5-Methyl-3-Oxo- (9Ci)
CAS No.	42158-16-7
Molecular Formula	C5H4ClNO3
Molecular Weight	161.54 g/mol
Synonyms	5-Methyl-3-oxo-2,3-dihydroisoxazole-4-carbonyl chloride; 5-Methyl-3-oxo-2,3-dihydroisoxazole-4-carboxylic acid chloride; 4-Chlorocarbonyl-5-methyl-3-hydroxyisoxazole; 5-Methyl-3-hydroxyisoxazole-4-carbonyl chloride; 3-Hydroxy-5-methylisoxazole-4-carbonyl chloride; 5-Methyl-3-oxoisoxazoline-4-carbonyl chloride
EINECS	Contact for details

Quality Control

Our production of 2(3H)-Isoxazolecarbonyl Chloride, 5-Methyl-3-Oxo- (9Ci) adheres to stringent in-process controls and final release testing to ensure batch-to-batch consistency and high purity. Each lot is analyzed via modern analytical techniques including HPLC, NMR, and IR spectroscopy. A comprehensive Certificate of Analysis (COA) detailing purity, identity, and impurity profiles is provided with every shipment, supporting your quality and regulatory documentation needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at a controlled room temperature (15-25°C). Due to its hygroscopic (moisture-sensitive) nature, containers must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent decomposition. Keep away from strong bases, oxidizers, and sources of moisture.

Specification

Item	Specification
Appearance	White to off-white crystalline powder or solid
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.