Description

4-Isoxazolecarbonyl Chloride, 5-(1,1-Dimethylethyl)- (9Ci) is a specialized heterocyclic acid chloride derivative, serving as a critical building block in advanced organic synthesis. Its primary value lies in its high reactivity, enabling the efficient introduction of the sterically hindered 5-tert-butylisoxazole-4-carbonyl moiety into target molecules. This compound is essential for researchers and process chemists in the pharmaceutical and agrochemical industries, particularly for the development of novel active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: Key precursor in the synthesis of active pharmaceutical ingredients (APIs), especially those targeting central nervous system (CNS) disorders and metabolic diseases.
• Agrochemical Synthesis: Used in the development of modern herbicides, fungicides, and insecticides, where the isoxazole ring contributes to biological activity.
• Ligand & Catalyst Development: Acts as a starting material for creating novel ligands and organocatalysts used in asymmetric synthesis and metal complexation.
• Material Science Research: Employed in the synthesis of polymers and advanced organic materials with specific electronic or photophysical properties.
• Custom Synthesis & Contract Manufacturing: A vital reagent for custom synthesis houses and CDMOs (Contract Development and Manufacturing Organizations) serving global clients.

Basic Information

Product Name	4-Isoxazolecarbonyl Chloride, 5-(1,1-Dimethylethyl)- (9Ci)
CAS No.	136995-27-2
Molecular Formula	C8H10ClNO2
Molecular Weight	187.62 g/mol
Synonyms	5-tert-Butylisoxazole-4-carbonyl chloride; 5-(tert-Butyl)-4-isoxazolecarbonyl chloride; 5-tert-Butyl-1,2-oxazole-4-carbonyl chloride; 4-Carbonyl chloride-5-tert-butylisoxazole; 136995-27-2; 5-(1,1-Dimethylethyl)-4-isoxazolecarbonyl chloride
EINECS	Contact for details

Quality Control

Our production of 4-Isoxazolecarbonyl Chloride adheres to stringent quality management protocols. Each batch undergoes comprehensive analytical testing, including HPLC, NMR, and IR spectroscopy, to ensure identity, purity, and consistency. Certificates of Analysis (COA) documenting all critical parameters are provided with every shipment. We support cGMP (current Good Manufacturing Practice) standards for pharmaceutical applications, ensuring full traceability and documentation for regulatory compliance.

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 hydrolysis and degradation. Keep away from heat, open flames, and incompatible materials such as strong 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)	Individual impurity ≤ 1.0%; Total impurities ≤ 3.0%

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