Description

3-Isoxazolecarboxylic Acid, 5-(2-Methylphenyl)-, Ethyl Ester is a specialized heterocyclic building block of significant interest in advanced organic synthesis. This compound, with CAS number 893638-45-4, is valued for its unique molecular architecture, which incorporates both an isoxazole ring and a substituted phenyl group. It is primarily sought after by research and development chemists in the pharmaceutical and agrochemical industries for the construction of novel active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: A key synthon for the research and development of new drug candidates, particularly in medicinal chemistry programs targeting central nervous system (CNS) or anti-inflammatory activities.
• Agrochemical Synthesis: Serves as a crucial building block in the design and synthesis of novel herbicides, fungicides, or insecticides, leveraging the bioactivity of the isoxazole moiety.
• Chemical Research: Used in academic and industrial laboratories for methodological studies in heterocyclic chemistry, including cycloaddition reactions and functional group transformations.
• Material Science Precursor: Potential starting material for the synthesis of specialized ligands, polymers, or organic electronic materials due to its conjugated system.

Basic Information

Product Name	3-Isoxazolecarboxylic Acid, 5-(2-Methylphenyl)-, Ethyl Ester
CAS No.	893638-45-4
Molecular Formula	C13H13NO3
Molecular Weight	231.25 g/mol
Synonyms	Ethyl 5-(2-Methylphenyl)isoxazole-3-carboxylate; 5-(o-Tolyl)isoxazole-3-carboxylic Acid Ethyl Ester; 3-Carbethoxy-5-(2-methylphenyl)isoxazole; 5-(2-Methylphenyl)-3-isoxazolecarboxylic Acid Ethyl Ester; AI3-71497; ZINC000103014535
EINECS	Contact for details

Quality Control

We maintain stringent quality control protocols for all our fine chemical intermediates. Each batch of 3-Isoxazolecarboxylic Acid, 5-(2-Methylphenyl)-, Ethyl Ester is analyzed to confirm identity, purity, and consistency. A comprehensive Certificate of Analysis (COA) detailing specifications such as assay (by HPLC), related substances, and physical characteristics is provided with every shipment to ensure it meets your research and development requirements.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at controlled room temperature (typically 15-25°C). Keep away from heat, sparks, and open flame.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 97.0%
Related Substances (HPLC)	Total impurities ≤ 3.0%
Loss on Drying	≤ 0.5%

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