Description

Ethyl 3-Bromoisoxazole-5-Carboxylate is a high-purity, versatile heterocyclic building block essential for advanced organic synthesis. This compound is valued for its reactive bromine and ester functional groups, which enable efficient derivatization and incorporation into complex molecular architectures. It is primarily sought after by research chemists and process development scientists in the pharmaceutical and agrochemical industries for the creation of novel active ingredients and fine chemicals.

Application

• Pharmaceutical Intermediate: A key precursor in the synthesis of drug candidates, particularly those containing the isoxazole pharmacophore for potential anti-inflammatory, antimicrobial, or CNS activity.
• Agrochemical Synthesis: Used in the research and development of new herbicides, fungicides, and insecticides, leveraging its heterocyclic structure for bioactivity.
• Material Science Research: Serves as a building block for creating specialized polymers, ligands, or organic electronic materials with tailored properties.
• Cross-Coupling Reactions: The bromine atom makes it an excellent substrate for palladium-catalyzed reactions like Suzuki, Sonogashira, or Buchwald-Hartwig couplings to form new carbon-carbon or carbon-heteroatom bonds.
• Ester Modification & Hydrolysis: The ethyl ester group can be hydrolyzed to the corresponding acid or transesterified, providing a handle for further functionalization and scaffold diversification.

Basic Information

Product Name	Ethyl 3-Bromoisoxazole-5-Carboxylate
CAS No.	105174-97-8
Molecular Formula	C6H6BrNO3
Molecular Weight	220.02 g/mol
Synonyms	3-Bromo-5-(ethoxycarbonyl)isoxazole; Ethyl 3-bromo-1,2-oxazole-5-carboxylate; 5-Carbethoxy-3-bromoisoxazole; 3-Bromoisoxazole-5-carboxylic acid ethyl ester; 1,2-Oxazole-5-carboxylic acid, 3-bromo-, ethyl ester; Ethyl 3-bromoisoxazole-5-carboxylate; 105174-97-8; NSC 405124
EINECS	Contact for details

Quality Control

Our Ethyl 3-Bromoisoxazole-5-Carboxylate is manufactured under strict quality management systems. Each batch undergoes comprehensive analytical testing, including HPLC, NMR, and GC-MS, to ensure identity, purity, and consistency. A Certificate of Analysis (COA) detailing all specifications is provided with every shipment to support your quality assurance and regulatory needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at controlled room temperature (15-25°C). Keep away from strong bases and incompatible materials. For long-term storage, consider storing under an inert atmosphere to maintain optimal purity.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Melting Point	Contact for details
Loss on Drying	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 20 ppm

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