CAS 83817-51-0

Ethyl 3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarboxylate

Description:

Ethyl 3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarboxylate is a chemical compound characterized by its unique isoxazole structure, which features a five-membered ring containing both nitrogen and oxygen atoms. This compound includes an ethyl ester functional group, contributing to its solubility and reactivity. The presence of a 2-chloro-6-fluorophenyl substituent enhances its biological activity and may influence its pharmacological properties. The methyl group at the 5-position of the isoxazole ring can affect the compound's steric and electronic characteristics, potentially impacting its interactions with biological targets. This compound is of interest in medicinal chemistry and may exhibit various biological activities, making it a candidate for further research in drug development. Its CAS number, 83817-51-0, allows for easy identification and reference in chemical databases. Overall, the structural features of this compound suggest potential applications in pharmaceuticals, particularly in areas requiring compounds with specific biological activities.

Formula: C₁₃H₁₁ClFNO₃

InChI: InChI=1S/C13H11ClFNO3/c1-3-18-13(17)10-7(2)19-16-12(10)11-8(14)5-4-6-9(11)15/h4-6H,3H2,1-2H3

InChI key: InChIKey=PPLHLTAXAFQXGE-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C=1C(=NOC1C)C2=C(Cl)C=CC=C2F

Synonyms:

• 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid ethyl ester
• Ethyl 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylate
• Ethyl 3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarboxylate
• 4-Isoxazolecarboxylic acid, 3-(2-chloro-6-fluorophenyl)-5-methyl-, ethyl ester

3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic Acid-13C4 Ethyl Ester

Controlled Product

CAS: 83817-51-0

Applications 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic Acid-13C4 Ethyl Ester is an isotope labelled derivative in the synthesis of Flucloxacillin (F419200), a new semisynthetic penicillin with broad spectrum of antibacterial activity.
References Macsari, I., et al.: Bioorg. Med. Chem. Lett., 21, 3871 (2011); Cui, Y., et al.: Curr. Sci., 89, 531 (2005);

Formula: C₉₁₃C₄H₁₁ClFNO₃

Color and Shape: Neat

Molecular weight: 287.65

Ref: TR-C374767

3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic Acid Ethyl Ester

Controlled Product

CAS: 83817-51-0

Applications 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic Acid Ethyl Ester is a derivative in the synthesis of Flucloxacillin (F419200), a new semisynthetic penicillin with broad spectrum of antibacterial activity.
References Macsari, I., et al.: Bioorg. Med. Chem. Lett., 21, 3871 (2011); Cui, Y., et al.: Curr. Sci., 89, 531 (2005);

Formula: C₁₃H₁₁ClFNO₃

Color and Shape: Neat

Molecular weight: 283.68

Ref: TR-C374765