CAS 827034-72-0

Methyl β-amino-4-(methylthio)benzenepropanoate

Description:

Methyl β-amino-4-(methylthio)benzenepropanoate, identified by its CAS number 827034-72-0, is an organic compound characterized by its structural features that include a methylthio group and an amino group attached to a benzene ring. This compound is typically classified as an amino acid derivative due to the presence of the β-amino group, which contributes to its potential biological activity. The methylthio group enhances its lipophilicity, potentially influencing its solubility and interaction with biological membranes. Methyl β-amino-4-(methylthio)benzenepropanoate may exhibit properties such as being a potential precursor in the synthesis of pharmaceuticals or agrochemicals. Its molecular structure suggests it could participate in various chemical reactions, including nucleophilic substitutions and coupling reactions. Additionally, the compound's stability, reactivity, and specific applications would depend on its environment and the presence of other functional groups. As with many organic compounds, safety data and handling precautions should be considered when working with this substance in laboratory or industrial settings.

Formula: C₁₁H₁₅NO₂S

InChI: InChI=1S/C11H15NO2S/c1-14-11(13)7-10(12)8-3-5-9(15-2)6-4-8/h3-6,10H,7,12H2,1-2H3

InChI key: InChIKey=UDZBDPGRFQAORG-UHFFFAOYSA-N

SMILES: C(CC(OC)=O)(N)C1=CC=C(SC)C=C1

Synonyms:

• Benzenepropanoic acid, β-amino-4-(methylthio)-, methyl ester
• Methyl β-amino-4-(methylthio)benzenepropanoate