Description

Methyl 5-(3-Bromophenyl)Isoxazole-3-Carboxylate is a high-purity, functionalized heterocyclic building block of significant interest in advanced organic synthesis. Its core value lies in the strategic combination of a bromoaryl handle and an isoxazole-carboxylate ester, enabling versatile downstream modifications for creating complex molecular architectures. This compound is primarily sought by research chemists and process development scientists in the pharmaceutical and agrochemical industries for applications in medicinal chemistry and material science.

Application

• Pharmaceutical Intermediate: Serves as a key precursor in the synthesis of novel active pharmaceutical ingredients (APIs), particularly for candidates targeting central nervous system (CNS) disorders and inflammatory diseases.
• Agrochemical Research: Used in the development of new herbicides and fungicides, leveraging the bioactivity of the isoxazole moiety.
• Material Science: Acts as a monomer or functional additive in the research of advanced polymers and liquid crystals.
• Cross-Coupling Reactions: The 3-bromophenyl group is an excellent substrate for palladium-catalyzed reactions like Suzuki, Heck, and Sonogashira couplings to introduce diverse aryl groups.
• Library Synthesis: A valuable scaffold for generating focused compound libraries in high-throughput screening for drug discovery campaigns.
• Chemical Biology Probes: Utilized to create molecular probes for studying enzyme function and protein-protein interactions.

Basic Information

Product Name	Methyl 5-(3-Bromophenyl)Isoxazole-3-Carboxylate
CAS No.	745078-74-4
Molecular Formula	C11H8BrNO3
Molecular Weight	282.09 g/mol
Synonyms	5-(3-Bromophenyl)-3-(methoxycarbonyl)isoxazole; Methyl 5-(3-bromophenyl)-1,2-oxazole-3-carboxylate; 3-Bromo-5-(methoxycarbonyl)isoxazole benzene; 3-Carbomethoxy-5-(3-bromophenyl)isoxazole; 745078-74-4; 5-(3-Bromophenyl)isoxazole-3-carboxylic acid methyl ester
EINECS	Contact for details

Quality Control

Our production of Methyl 5-(3-Bromophenyl)Isoxazole-3-Carboxylate adheres to stringent in-process controls and final release testing to ensure batch-to-batch consistency and high purity. Quality is verified against comprehensive specifications, including identity confirmation, assay, and impurity profiling. A Certificate of Analysis (COA) detailing all test results is provided with each shipment, and we support customer audits and regulatory documentation requirements.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed after opening to prevent degradation from atmospheric moisture. Keep away from incompatible materials.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Retention time matches reference standard
Assay (HPLC)	≥ 98.0%
Related Substances (HPLC)	Any single impurity ≤ 0.5%; Total impurities ≤ 1.5%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

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