CAS 13134-77-5

Benzo[b]thiophene-2-carboxylic acid, 5-chloro-3-hydroxy-, methyl ester

Description:

Benzo[b]thiophene-2-carboxylic acid, 5-chloro-3-hydroxy-, methyl ester, with the CAS number 13134-77-5, is an organic compound characterized by its benzo[b]thiophene core structure, which is a fused bicyclic system containing both benzene and thiophene rings. This compound features a carboxylic acid functional group that is esterified with a methyl group, indicating it is a methyl ester. The presence of a chlorine atom at the 5-position and a hydroxyl group at the 3-position contributes to its reactivity and potential biological activity. The compound is likely to exhibit moderate solubility in organic solvents due to its aromatic nature and polar functional groups. Its structural features suggest potential applications in pharmaceuticals, agrochemicals, or as a building block in organic synthesis. Additionally, the presence of the hydroxyl group may impart hydrogen bonding capabilities, influencing its interactions in various chemical environments. Overall, this compound's unique structure and functional groups make it of interest in both synthetic and medicinal chemistry.

Formula: C₁₀H₇ClO₃S

InChI: InChI=1S/C10H7ClO3S/c1-14-10(13)9-8(12)6-4-5(11)2-3-7(6)15-9/h2-4,12H,1H3

InChI key: InChIKey=SBCZYSMVZRMPCF-UHFFFAOYSA-N

SMILES: OC=1C=2C(SC1C(OC)=O)=CC=C(Cl)C2

Synonyms:

• Benzo[b]thiophene-2-carboxylic acid, 5-chloro-3-hydroxy-, methyl ester
• Methyl 5-chloro-3-hydroxybenzo[b]thiophene-2-carboxylate