CAS 7287-41-4

3-Benzofurancarboxylic acid, 6-bromo-5-hydroxy-2-methyl-, ethyl ester

Description:

3-Benzofurancarboxylic acid, 6-bromo-5-hydroxy-2-methyl-, ethyl ester, identified by CAS number 7287-41-4, is an organic compound characterized by its benzofuran structure, which consists of a fused benzene and furan ring. This compound features a carboxylic acid functional group, an ethyl ester moiety, and substituents including a bromo group and a hydroxy group, contributing to its reactivity and potential biological activity. The presence of the bromine atom can enhance the compound's lipophilicity, while the hydroxy group may participate in hydrogen bonding, influencing solubility and interaction with biological targets. The ethyl ester group typically indicates that the compound may be involved in esterification reactions or serve as a prodrug. Its unique structural features suggest potential applications in pharmaceuticals, agrochemicals, or as intermediates in organic synthesis. However, specific properties such as melting point, boiling point, and solubility would require empirical data for precise characterization.

Formula: C₁₂H₁₁BrO₄

InChI: InChI=1S/C12H11BrO4/c1-3-16-12(15)11-6(2)17-10-5-8(13)9(14)4-7(10)11/h4-5,14H,3H2,1-2H3

InChI key: InChIKey=BHMIROPXSMFXIR-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C=1C=2C(OC1C)=CC(Br)=C(O)C2

Synonyms:

• Ethyl 6-bromo-5-hydroxy-2-methyl-3-benzofurancarboxylate
• 5-Hydroxy-6-bromo-2-methyl-3-carbethoxybenzofuran
• 3-Benzofurancarboxylic acid, 6-bromo-5-hydroxy-2-methyl-, ethyl ester