CAS 1217530-86-3

Benzenepropanoic acid, β-amino-4-chloro-, methyl ester, hydrochloride (1:1), (βR)-

Description:

Benzenepropanoic acid, β-amino-4-chloro-, methyl ester, hydrochloride (1:1), (βR)- is a chemical compound characterized by its structural features that include a benzene ring, a propanoic acid moiety, and a β-amino group, along with a chloro substituent. This compound is typically encountered as a hydrochloride salt, which enhances its solubility in aqueous environments, making it suitable for various applications in pharmaceutical and biochemical research. The presence of the methyl ester group indicates that it may exhibit esterification properties, potentially influencing its reactivity and interaction with biological systems. The β-amino configuration suggests that it may participate in specific stereochemical interactions, which can be crucial for its biological activity. Additionally, the chloro substituent can affect the compound's electronic properties and reactivity. Overall, this compound's unique combination of functional groups and stereochemistry may contribute to its potential utility in medicinal chemistry and drug development.

Formula: C₁₀H₁₂ClNO₂·ClH

InChI: InChI=1S/C10H12ClNO2.ClH/c1-14-10(13)6-9(12)7-2-4-8(11)5-3-7;/h2-5,9H,6,12H2,1H3;1H/t9-;/m1./s1

InChI key: InChIKey=CKHLTQXMMBPPQU-SBSPUUFOSA-N

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

Synonyms:

• Benzenepropanoic acid, β-amino-4-chloro-, methyl ester, hydrochloride (1:1), (βR)-