CAS 1261916-38-4

3-Methyl 4-chloro-3′-methoxy[1,1′-biphenyl]-3,4′-dicarboxylate

Description:

3-Methyl 4-chloro-3′-methoxy[1,1′-biphenyl]-3,4′-dicarboxylate is an organic compound characterized by its biphenyl structure, which consists of two phenyl rings connected by a single bond. This compound features a methyl group and a chloro substituent on one of the phenyl rings, along with a methoxy group and two carboxylate ester functionalities. The presence of these functional groups contributes to its chemical reactivity and potential applications in various fields, including pharmaceuticals and agrochemicals. The methoxy group enhances solubility in organic solvents, while the carboxylate groups can participate in various chemical reactions, such as esterification or amidation. The compound's molecular structure suggests it may exhibit interesting biological activities, making it a candidate for further research in medicinal chemistry. Additionally, its unique combination of substituents may influence its physical properties, such as melting point, boiling point, and solubility, which are essential for understanding its behavior in different environments.

Formula: C₁₆H₁₃ClO₅

InChI: InChI=1S/C16H13ClO5/c1-21-14-8-10(3-5-11(14)15(18)19)9-4-6-13(17)12(7-9)16(20)22-2/h3-8H,1-2H3,(H,18,19)

InChI key: InChIKey=NSBHENNKAGJPHT-UHFFFAOYSA-N

SMILES: C(OC)(=O)C=1C=C(C=CC1Cl)C2=CC(OC)=C(C(O)=O)C=C2

Synonyms:

• 3-Methyl 4-chloro-3′-methoxy[1,1′-biphenyl]-3,4′-dicarboxylate
• [1,1′-Biphenyl]-3,4′-dicarboxylic acid, 4-chloro-3′-methoxy-, 3-methyl ester