CAS 1159978-85-4

Ethyl 3-(4-chlorophenyl)-5-(trifluoromethyl)-4-isoxazolecarboxylate

Description:

Ethyl 3-(4-chlorophenyl)-5-(trifluoromethyl)-4-isoxazolecarboxylate is a chemical compound characterized by its isoxazole ring structure, which is a five-membered heterocyclic compound containing both nitrogen and oxygen. This substance features an ethyl ester functional group, contributing to its solubility and reactivity. The presence of a 4-chlorophenyl group indicates that it has a chlorine substituent on the phenyl ring, which can influence its biological activity and chemical properties. Additionally, the trifluoromethyl group enhances the compound's lipophilicity and can affect its electronic properties, making it potentially useful in medicinal chemistry. The compound is likely to exhibit interesting pharmacological activities due to its unique structural features, which may include anti-inflammatory or antimicrobial properties. Its CAS number, 1159978-85-4, allows for precise identification in chemical databases, facilitating research and application in various fields, including pharmaceuticals and agrochemicals. Overall, this compound represents a significant interest in synthetic organic chemistry and drug development.

Formula: C₁₃H₉ClF₃NO₃

InChI: InChI=1S/C13H9ClF3NO3/c1-2-20-12(19)9-10(7-3-5-8(14)6-4-7)18-21-11(9)13(15,16)17/h3-6H,2H2,1H3

InChI key: InChIKey=ZJZDIOAYNLCGRK-UHFFFAOYSA-N

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

Synonyms:

• Ethyl 3-(4-chlorophenyl)-5-(trifluoromethyl)-4-isoxazolecarboxylate
• 4-Isoxazolecarboxylic acid, 3-(4-chlorophenyl)-5-(trifluoromethyl)-, ethyl ester