CAS 1008736-39-7

Methyl 4-[(1S)-1-aminoethyl]-2-methylbenzoate

Description:

Methyl 4-[(1S)-1-aminoethyl]-2-methylbenzoate, identified by its CAS number 1008736-39-7, is an organic compound characterized by its ester functional group and an aminoethyl side chain. This compound features a methyl ester derived from benzoic acid, specifically substituted at the para position with an aminoethyl group and at the ortho position with a methyl group. The presence of the amino group imparts basic properties, while the ester moiety contributes to its potential solubility in organic solvents. The stereochemistry indicated by the (1S) designation suggests that the amino group is attached to a chiral carbon, which can influence the compound's biological activity and interactions. Methyl 4-[(1S)-1-aminoethyl]-2-methylbenzoate may be of interest in pharmaceutical applications due to its structural features, which could allow for interactions with biological targets. Its synthesis and characterization would typically involve standard organic chemistry techniques, including esterification and chiral resolution methods, to obtain the desired enantiomer.

Formula: C₁₁H₁₅NO₂

InChI: InChI=1S/C11H15NO2/c1-7-6-9(8(2)12)4-5-10(7)11(13)14-3/h4-6,8H,12H2,1-3H3/t8-/m0/s1

InChI key: InChIKey=HCHBHPWTMIMLPV-QMMMGPOBSA-N

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

Synonyms:

• Benzoic acid, 4-[(1S)-1-aminoethyl]-2-methyl-, methyl ester
• Methyl 4-[(1S)-1-aminoethyl]-2-methylbenzoate