Description

4,5-Isoxazoledicarboxylicacid,3-Phenyl-,Diethylester(9Ci) is a specialized heterocyclic building block with a CAS number of 82164-04-3. This compound matters as a versatile intermediate for synthesizing complex molecules, particularly in pharmaceutical and agrochemical research. It is needed by R&D chemists and process development scientists in fine chemical, pharmaceutical, and advanced material industries seeking to introduce the isoxazole pharmacophore into target structures.

Application

• Pharmaceutical Intermediate: Key precursor in the synthesis of novel drug candidates, particularly those targeting central nervous system (CNS) disorders or possessing anti-inflammatory activity.
• Agrochemical Synthesis: Used in the research and development of new herbicides, fungicides, and insecticides, leveraging the bioactivity of the isoxazole ring.
• Ligand and Catalyst Development: Serves as a starting material for creating specialized ligands used in asymmetric catalysis and metal-organic frameworks (MOFs).
• Material Science Research: Employed in the development of organic semiconductors, liquid crystals, and other functional materials due to its rigid, conjugated structure.
• Academic & Institutional Research: A valuable reagent for methodological studies in organic synthesis, including cycloaddition reactions and heterocycle functionalization.
• Custom Synthesis & Contract Manufacturing: Supplied to CDMOs (Contract Development and Manufacturing Organizations) for the production of client-specific target molecules on a commercial scale.

Basic Information

Product Name	4,5-Isoxazoledicarboxylicacid,3-Phenyl-,Diethylester(9Ci)
CAS No.	82164-04-3
Molecular Formula	C14H13NO5
Molecular Weight	275.26 g/mol
Synonyms	Diethyl 3-phenyl-4,5-isoxazoledicarboxylate; 3-Phenyl-4,5-isoxazoledicarboxylic Acid Diethyl Ester; 4,5-Isoxazoledicarboxylic acid, 3-phenyl-, diethyl ester; Diethyl 3-phenyl-1,2-oxazole-4,5-dicarboxylate; 1,2-Oxazole-4,5-dicarboxylic acid, 3-phenyl-, diethyl ester; 3-Phenylisoxazole-4,5-dicarboxylic acid diethyl ester
EINECS	Contact for details

Quality Control

Our 4,5-Isoxazoledicarboxylicacid,3-Phenyl-,Diethylester(9Ci) is produced under strict quality management protocols. Each batch undergoes rigorous analytical testing, including HPLC, NMR, and GC-MS, to ensure identity, purity, and consistency. We provide comprehensive Certificates of Analysis (COA) with every shipment, detailing all specified parameters. Our quality systems are designed to support cGMP (current Good Manufacturing Practice) requirements for advanced intermediates.

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). Keep away from strong bases and incompatible materials such as strong oxidizing agents. For long-term storage, consider maintaining the material under an inert atmosphere to preserve stability.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Retention time matches reference standard
Purity (HPLC)	≥ 97.0%
Melting Point	Contact for details
Loss on Drying	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals (as Pb)	≤ 20 ppm

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