CAS 1355247-44-7

Methyl 3′-chloro-4′-cyano[1,1′-biphenyl]-3-carboxylate

Description:

Methyl 3′-chloro-4′-cyano[1,1′-biphenyl]-3-carboxylate is an organic compound characterized by its biphenyl structure, which consists of two phenyl rings connected by a single bond. The presence of a chloro group at the 3′ position and a cyano group at the 4′ position on one of the phenyl rings contributes to its chemical reactivity and potential applications in various fields, including pharmaceuticals and agrochemicals. The carboxylate functional group, derived from the carboxylic acid, indicates that the compound can participate in esterification and other reactions typical of carboxylic acid derivatives. This compound is likely to exhibit moderate to high lipophilicity due to its aromatic structure, which may influence its solubility and bioavailability. Additionally, the presence of multiple functional groups suggests that it may engage in diverse chemical interactions, making it a candidate for further research in synthetic chemistry and material science. Safety and handling precautions should be observed, as with many halogenated and cyano-containing compounds, due to potential toxicity and environmental concerns.

Formula: C₁₅H₁₀ClNO₂

InChI: InChI=1S/C15H10ClNO2/c1-19-15(18)12-4-2-3-10(7-12)11-5-6-13(9-17)14(16)8-11/h2-8H,1H3

InChI key: InChIKey=ZUMBDRJNLBHZBQ-UHFFFAOYSA-N

SMILES: C(OC)(=O)C=1C=C(C=CC1)C2=CC(Cl)=C(C#N)C=C2

Synonyms:

• Methyl 3′-chloro-4′-cyano[1,1′-biphenyl]-3-carboxylate
• [1,1′-Biphenyl]-3-carboxylic acid, 3′-chloro-4′-cyano-, methyl ester

Methyl 3-(3-chloro-4-cyanophenyl)benzoate

CAS: 1355247-44-7

Formula: C₁₅H₁₀ClNO₂

Molecular weight: 271.6984

Ref: IN-DA007LDT