CAS 89900-92-5

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

Description:

Methyl 3′-cyano[1,1′-biphenyl]-4-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 cyano group (-CN) at the 3' position and a carboxylate group (-COOCH3) at the 4 position contributes to its chemical reactivity and potential applications in organic synthesis. This compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents such as ethanol and acetone. Its molecular structure suggests it may participate in various chemical reactions, including nucleophilic substitutions and coupling reactions, making it of interest in the fields of medicinal chemistry and materials science. Additionally, the cyano and carboxylate functional groups can influence its electronic properties, potentially making it useful in the development of electronic materials or as a precursor in the synthesis of more complex molecules. Safety data should be consulted for handling and storage, as with any chemical substance.

Formula: C₁₅H₁₁NO₂

InChI: InChI=1S/C15H11NO2/c1-18-15(17)13-7-5-12(6-8-13)14-4-2-3-11(9-14)10-16/h2-9H,1H3

InChI key: InChIKey=KPNDONDAUMRIOK-UHFFFAOYSA-N

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

Synonyms:

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

Methyl 4-(3-cyanophenyl)benzoate

CAS: 89900-92-5

Formula: C₁₅H₁₁NO₂

Molecular weight: 237.2533

Ref: IN-DA00GTFV