CAS 860785-06-4

Methyl 1-[[3-(trifluoromethyl)phenyl]methyl]-1H-indole-2-carboxylate

Description:

Methyl 1-[[3-(trifluoromethyl)phenyl]methyl]-1H-indole-2-carboxylate, identified by its CAS number 860785-06-4, is a synthetic organic compound characterized by its indole structure, which is a bicyclic compound consisting of a benzene ring fused to a pyrrole ring. This compound features a methyl ester functional group, contributing to its reactivity and solubility properties. 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 indole moiety is known for its occurrence in various natural products and pharmaceuticals, often exhibiting diverse biological activities. The compound's molecular structure suggests potential applications in drug development, particularly in areas targeting specific receptors or enzymes. Its stability, solubility, and reactivity can be influenced by the electronic effects of the trifluoromethyl group, making it a subject of interest for further research in organic synthesis and pharmacology.

Formula: C₁₈H₁₄F₃NO₂

InChI: InChI=1S/C18H14F3NO2/c1-24-17(23)16-10-13-6-2-3-8-15(13)22(16)11-12-5-4-7-14(9-12)18(19,20)21/h2-10H,11H2,1H3

InChI key: InChIKey=FBGGPDRYGATLLC-UHFFFAOYSA-N

SMILES: C(N1C=2C(C=C1C(OC)=O)=CC=CC2)C3=CC(C(F)(F)F)=CC=C3

Synonyms:

• Methyl 1-[[3-(trifluoromethyl)phenyl]methyl]-1H-indole-2-carboxylate
• 1H-Indole-2-carboxylic acid, 1-[[3-(trifluoromethyl)phenyl]methyl]-, methyl ester