CAS 933471-44-4

Methyl (βS)-β-amino[1,1′-biphenyl]-4-propanoate

Description:

Methyl (βS)-β-amino[1,1′-biphenyl]-4-propanoate, identified by its CAS number 933471-44-4, is an organic compound characterized by its biphenyl structure, which consists of two phenyl rings connected by a single bond. This compound features a β-amino group, indicating the presence of an amino group (-NH2) attached to the β-carbon of the propanoate moiety. The methyl ester functional group contributes to its solubility in organic solvents and influences its reactivity. The stereochemistry of the β-amino group is specified as (βS), indicating the spatial arrangement of atoms around the chiral center, which can significantly affect the compound's biological activity and interaction with other molecules. Methyl (βS)-β-amino[1,1′-biphenyl]-4-propanoate may be of interest in medicinal chemistry and drug development due to its potential pharmacological properties. Its synthesis and characterization would typically involve standard organic chemistry techniques, including esterification and chiral resolution methods to obtain the desired stereoisomer.

Formula: C₁₆H₁₇NO₂

InChI: InChI=1S/C16H17NO2/c1-19-16(18)11-15(17)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10,15H,11,17H2,1H3/t15-/m0/s1

InChI key: InChIKey=FAOYZMMSUOXJNE-HNNXBMFYSA-N

SMILES: [C@@H](CC(OC)=O)(N)C1=CC=C(C=C1)C2=CC=CC=C2

Synonyms:

• [1,1′-Biphenyl]-4-propanoic acid, β-amino-, methyl ester, (βS)-
• Methyl (βS)-β-amino[1,1′-biphenyl]-4-propanoate