CAS 1261918-29-9

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

Description:

Methyl 3′-cyano-4-fluoro-4′-hydroxy[1,1′-biphenyl]-3-carboxylate, identified by its CAS number 1261918-29-9, is an organic compound characterized by its biphenyl structure, which features a cyano group, a fluorine atom, and a hydroxyl group. This compound typically exhibits a moderate to high level of lipophilicity due to its aromatic nature, which can influence its solubility in organic solvents. The presence of the cyano and carboxylate functional groups suggests potential reactivity, particularly in nucleophilic substitution reactions or as a precursor in synthetic pathways. The fluorine atom can impart unique electronic properties, potentially enhancing the compound's stability and reactivity. Additionally, the hydroxyl group may participate in hydrogen bonding, affecting the compound's physical properties such as boiling point and melting point. Overall, this compound may have applications in pharmaceuticals or materials science, where its specific functional groups can be leveraged for targeted chemical reactions or interactions.

Formula: C₁₅H₁₀FNO₃

InChI: InChI=1S/C15H10FNO3/c1-20-15(19)12-7-10(2-4-13(12)16)9-3-5-14(18)11(6-9)8-17/h2-7,18H,1H3

InChI key: InChIKey=WNYNIOCWAJQHDR-UHFFFAOYSA-N

SMILES: C(OC)(=O)C=1C=C(C=CC1F)C2=CC(C#N)=C(O)C=C2

Synonyms:

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