Description

3-Isoxazolecarbonyl Chloride, 5-(Chloromethyl)- (9Ci) is a highly reactive bifunctional heterocyclic building block, serving as a critical intermediate in advanced organic synthesis. Its value lies in enabling the efficient construction of complex molecular architectures, particularly in the development of novel active pharmaceutical ingredients (APIs) and agrochemicals. This compound is essential for research chemists and process development scientists in the pharmaceutical, agrochemical, and specialty chemical industries who require a reliable, high-purity source for constructing isoxazole-based scaffolds.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of novel drug candidates, particularly those targeting central nervous system (CNS) disorders, anti-infectives, and anti-inflammatory agents.
• Agrochemical Synthesis: Used in the production of advanced herbicides, fungicides, and insecticides, where the isoxazole ring contributes to biological activity.
• Ligand and Catalyst Development: Serves as a precursor for creating specialized ligands used in asymmetric catalysis and metal-organic frameworks (MOFs).
• Material Science Research: Employed in the synthesis of functional polymers and advanced organic materials with specific electronic or photophysical properties.
• Peptide Mimetics and Bioconjugation: The acyl chloride and chloromethyl groups allow for selective derivatization, useful in creating peptide analogs and bioconjugation linkers.
• Chemical Biology Probes: Facilitates the development of activity-based probes and other tools for studying biological processes at the molecular level.

Basic Information

Product Name	3-Isoxazolecarbonyl Chloride, 5-(Chloromethyl)- (9Ci)
CAS No.	80173-68-8
Molecular Formula	C5H3Cl2NO2
Molecular Weight	179.99 g/mol
Synonyms	5-(Chloromethyl)isoxazole-3-carbonyl chloride; 5-(Chloromethyl)-1,2-oxazole-3-carbonyl chloride; 3-Carboxy-5-(chloromethyl)isoxazole chloride; 5-Chloromethyl-3-isoxazolecarbonyl chloride; 80173-68-8; AI3-52711; CTK8G0332; NSC 403796; ZINC000005098761
EINECS	Contact for details

Quality Control

Our 3-Isoxazolecarbonyl Chloride, 5-(Chloromethyl)- is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC for purity and identity confirmation by NMR and IR spectroscopy, to ensure it meets the high standards required for research and process chemistry. Certificates of Analysis (COA) with detailed chromatographic data are provided for every shipment, ensuring full traceability and compliance with your internal quality protocols.

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 and highly volatile nature, the container must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent moisture absorption and decomposition. Keep away from strong acids, bases, and oxidizing agents.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid or low-melting solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0% (Area %)
Water Content (KF)	≤ 0.5%

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