CAS 93071-66-0

Benzenepropanoic acid, 3-(aminomethyl)-, ethyl ester

Description:

Benzenepropanoic acid, 3-(aminomethyl)-, ethyl ester, also known by its CAS number 93071-66-0, is an organic compound characterized by its structure, which includes a benzene ring, a propanoic acid moiety, and an ethyl ester functional group. This compound features an aminomethyl group at the 3-position of the propanoic acid, which contributes to its potential biological activity. It is typically a colorless to pale yellow liquid or solid, depending on its purity and specific conditions. The presence of the amino group suggests that it may participate in various chemical reactions, including nucleophilic substitutions and coupling reactions. Its ester functionality indicates that it may undergo hydrolysis in the presence of water or under acidic or basic conditions, releasing the corresponding alcohol and carboxylic acid. This compound may have applications in pharmaceuticals, agrochemicals, or as an intermediate in organic synthesis, although specific applications would depend on further research into its properties and reactivity. Safety data should be consulted for handling and storage guidelines.

Formula: C₁₂H₁₇NO₂

InChI: InChI=1S/C12H17NO2/c1-2-15-12(14)7-6-10-4-3-5-11(8-10)9-13/h3-5,8H,2,6-7,9,13H2,1H3

InChI key: InChIKey=YPMILYQONSQMNG-UHFFFAOYSA-N

SMILES: C(CC(OCC)=O)C1=CC(CN)=CC=C1

Synonyms:

• Benzenepropanoic acid, 3-(aminomethyl)-, ethyl ester
• Ethyl 3-(aminomethyl)benzenepropanoate