CAS 83817-50-9

Ethyl 3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxylate

Description:

Ethyl 3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxylate is a chemical compound characterized by its isoxazole ring structure, which is a five-membered heterocyclic compound containing both nitrogen and oxygen atoms. This substance features an ethyl ester functional group, contributing to its solubility and reactivity. The presence of a 2-chlorophenyl group indicates that it has a chlorine substituent on a phenyl ring, which can influence its biological activity and chemical properties. The methyl group at the 5-position of the isoxazole ring adds to the compound's steric and electronic characteristics. This compound may exhibit various pharmacological activities, making it of interest in medicinal chemistry. Its CAS number, 83817-50-9, allows for easy identification in chemical databases. Overall, the unique combination of functional groups and structural features in Ethyl 3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxylate contributes to its potential applications in research and industry.

Formula: C₁₃H₁₂ClNO₃

InChI: InChI=1S/C13H12ClNO3/c1-3-17-13(16)11-8(2)18-15-12(11)9-6-4-5-7-10(9)14/h4-7H,3H2,1-2H3

InChI key: InChIKey=QFOIBTBRETTXIK-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C=1C(=NOC1C)C2=C(Cl)C=CC=C2

Synonyms:

• 3-(2-Chlorophenyl)-5-methylisoxazole-4-carboxylic acid ethyl ester
• 4-Isoxazolecarboxylic acid, 3-(2-chlorophenyl)-5-methyl-, ethyl ester
• Ethyl 3-(2-chlorophenyl)-5-methylisoxazole-4-carboxylate
• Ethyl 3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxylate