CAS 1261888-91-8

2-Thiophenecarboxylic acid, 4-(3-bromo-5-hydroxyphenyl)-, methyl ester

Description:

2-Thiophenecarboxylic acid, 4-(3-bromo-5-hydroxyphenyl)-, methyl ester, identified by CAS number 1261888-91-8, is an organic compound characterized by its thiophene ring structure, which contributes to its aromatic properties. The presence of a carboxylic acid functional group indicates that it can participate in various chemical reactions, such as esterification and acid-base reactions. The methyl ester group suggests that it is a derivative of a carboxylic acid, which can enhance its solubility in organic solvents. The compound also features a bromine atom and a hydroxyl group on the phenyl ring, which can influence its reactivity and polarity. These substituents may enhance its biological activity, making it of interest in medicinal chemistry. Overall, this compound exhibits a combination of aromaticity, potential for hydrogen bonding due to the hydroxyl group, and reactivity associated with both the carboxylic acid and ester functionalities, making it a versatile molecule in synthetic organic chemistry and potential applications in pharmaceuticals.

Formula: C₁₂H₉BrO₃S

InChI: InChI=1S/C12H9BrO3S/c1-16-12(15)11-4-8(6-17-11)7-2-9(13)5-10(14)3-7/h2-6,14H,1H3

InChI key: InChIKey=SCGJAPWHLFJYLN-UHFFFAOYSA-N

SMILES: C(OC)(=O)C1=CC(=CS1)C2=CC(Br)=CC(O)=C2

Synonyms:

• 2-Thiophenecarboxylic acid, 4-(3-bromo-5-hydroxyphenyl)-, methyl ester