CAS 1261986-29-1

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

Description:

2-Thiophenecarboxylic acid, 4-(3-cyano-5-hydroxyphenyl)-, methyl ester is an organic compound characterized by its thiophene ring, which contributes to its aromatic properties and potential reactivity. This compound features a carboxylic acid functional group, indicating it can participate in acid-base reactions and form esters or amides. The presence of a cyano group (-C≡N) enhances its electron-withdrawing characteristics, which can influence its reactivity and interactions with other molecules. The hydroxyl group (-OH) on the phenyl ring adds to its polarity and can engage in hydrogen bonding, affecting solubility in polar solvents. As a methyl ester, it suggests that the compound can undergo hydrolysis to release the corresponding carboxylic acid. Overall, this compound may exhibit interesting biological activities and could be of interest in pharmaceutical or material science applications due to its unique structural features and functional groups. Its specific properties, such as melting point, boiling point, and solubility, would require empirical measurement or literature reference for detailed characterization.

Formula: C₁₃H₉NO₃S

InChI: InChI=1S/C13H9NO3S/c1-17-13(16)12-5-10(7-18-12)9-2-8(6-14)3-11(15)4-9/h2-5,7,15H,1H3

InChI key: InChIKey=LNJLVFRGPRYUFR-UHFFFAOYSA-N

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

Synonyms:

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