CAS 668970-86-3

Methyl 5-[2-(trifluoromethyl)phenyl]-3-isoxazolecarboxylate

Description:

Methyl 5-[2-(trifluoromethyl)phenyl]-3-isoxazolecarboxylate, identified by its CAS number 668970-86-3, 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 a methyl ester functional group, contributing to its reactivity and solubility in organic solvents. The presence of a trifluoromethyl group on the phenyl ring enhances its lipophilicity and can influence its biological activity, making it of interest in medicinal chemistry. The isoxazole moiety is known for its potential pharmacological properties, including anti-inflammatory and analgesic effects. Additionally, the compound's unique structural features may allow for specific interactions with biological targets, which can be explored in drug development. Overall, Methyl 5-[2-(trifluoromethyl)phenyl]-3-isoxazolecarboxylate represents a versatile scaffold in organic synthesis and pharmaceutical research.

Formula: C₁₂H₈F₃NO₃

InChI: InChI=1S/C12H8F3NO3/c1-18-11(17)9-6-10(19-16-9)7-4-2-3-5-8(7)12(13,14)15/h2-6H,1H3

InChI key: InChIKey=OYSFTWWQUFIVGG-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C1=C(C=CC=C1)C2=CC(C(OC)=O)=NO2

Synonyms:

• 3-Isoxazolecarboxylic acid, 5-[2-(trifluoromethyl)phenyl]-, methyl ester
• Methyl 5-[2-(trifluoromethyl)phenyl]-3-isoxazolecarboxylate