CAS 1227954-97-3

Ethyl 3-(1H-pyrrol-1-yl)-5-(trifluoromethyl)benzo[b]thiophene-2-carboxylate

Description:

Ethyl 3-(1H-pyrrol-1-yl)-5-(trifluoromethyl)benzo[b]thiophene-2-carboxylate, identified by its CAS number 1227954-97-3, is a synthetic organic compound characterized by its complex structure that includes a benzo[b]thiophene core, a pyrrole ring, and a trifluoromethyl group. This compound typically exhibits properties associated with heterocyclic compounds, such as potential biological activity and unique electronic characteristics due to the presence of the trifluoromethyl group, which can enhance lipophilicity and influence reactivity. The ethyl ester functional group contributes to its solubility in organic solvents and may affect its pharmacokinetic properties. The presence of multiple functional groups suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals or agrochemicals. Additionally, the compound's structural features may allow for interactions with biological targets, making it of interest for further research in drug discovery and development. As with many synthetic compounds, safety and handling precautions should be observed due to potential toxicity or reactivity.

Formula: C₁₆H₁₂F₃NO₂S

InChI: InChI=1S/C16H12F3NO2S/c1-2-22-15(21)14-13(20-7-3-4-8-20)11-9-10(16(17,18)19)5-6-12(11)23-14/h3-9H,2H2,1H3

InChI key: InChIKey=CZBMKRLZQVXKQG-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C1=C(C=2C(S1)=CC=C(C(F)(F)F)C2)N3C=CC=C3

Synonyms:

• Benzo[b]thiophene-2-carboxylic acid, 3-(1H-pyrrol-1-yl)-5-(trifluoromethyl)-, ethyl ester
• Ethyl 3-(1H-pyrrol-1-yl)-5-(trifluoromethyl)benzo[b]thiophene-2-carboxylate