CAS 932929-10-7

6-(1,1-Dimethylethyl)benzo[b]thiophene-3-carboxylic acid

Description:

6-(1,1-Dimethylethyl)benzo[b]thiophene-3-carboxylic acid is a chemical compound characterized by its unique structure, which includes a benzo[b]thiophene core substituted with a tert-butyl group at the 6-position and a carboxylic acid functional group at the 3-position. This compound is part of a class of organic molecules known for their potential applications in pharmaceuticals and materials science due to their aromatic properties and functional groups. The presence of the carboxylic acid group contributes to its acidity and reactivity, making it useful in various chemical reactions, including esterification and amidation. Additionally, the tert-butyl group enhances the compound's lipophilicity, which can influence its biological activity and solubility in organic solvents. The compound's molecular structure suggests it may exhibit interesting electronic properties, potentially making it a candidate for studies in organic electronics or as a building block in synthetic organic chemistry. Overall, 6-(1,1-Dimethylethyl)benzo[b]thiophene-3-carboxylic acid represents a versatile compound with significant implications in both research and industrial applications.

Formula: C₁₃H₁₄O₂S

InChI: InChI=1S/C13H14O2S/c1-13(2,3)8-4-5-9-10(12(14)15)7-16-11(9)6-8/h4-7H,1-3H3,(H,14,15)

InChI key: InChIKey=GLMCOVPJTAOHEL-UHFFFAOYSA-N

SMILES: C(O)(=O)C=1C=2C(=CC(C(C)(C)C)=CC2)SC1

Synonyms:

• Benzo[b]thiophene-3-carboxylic acid, 6-(1,1-dimethylethyl)-
• 6-(1,1-Dimethylethyl)benzo[b]thiophene-3-carboxylic acid