CAS 1630815-54-1

Benzoic acid, 5-[(1S)-1-amino-2-hydroxyethyl]-2-chloro-, methyl ester, hydrochloride (1:1)

Description:

Benzoic acid, 5-[(1S)-1-amino-2-hydroxyethyl]-2-chloro-, methyl ester, hydrochloride (1:1) is a chemical compound characterized by its complex structure, which includes a benzoic acid moiety, an amino alcohol side chain, and a methyl ester functional group. The presence of the 2-chloro substituent on the benzene ring enhances its reactivity and may influence its biological activity. As a hydrochloride salt, it is typically more soluble in water compared to its free base form, which is advantageous for pharmaceutical applications. The compound may exhibit properties such as antimicrobial activity, making it of interest in medicinal chemistry. Its stereochemistry, indicated by the (1S) configuration, suggests specific spatial arrangements that can affect its interaction with biological targets. Overall, this compound's unique combination of functional groups and structural features positions it as a potentially valuable substance in drug development and other chemical applications.

Formula: C₁₀H₁₂ClNO₃·ClH

InChI: InChI=1S/C10H12ClNO3.ClH/c1-15-10(14)7-4-6(9(12)5-13)2-3-8(7)11;/h2-4,9,13H,5,12H2,1H3;1H/t9-;/m1./s1

InChI key: InChIKey=FZAOTWPXCMVXJN-SBSPUUFOSA-N

SMILES: C(OC)(=O)C1=CC([C@@H](CO)N)=CC=C1Cl.Cl

Synonyms:

• Benzoic acid, 5-[(1S)-1-amino-2-hydroxyethyl]-2-chloro-, methyl ester, hydrochloride (1:1)

METHYL 5-[(1S)-1-AMINO-2-HYDROXYETHYL]-2-CHLOROBENZOATE HCL

CAS: 1630815-54-1

Formula: C₁₀H₁₃Cl₂NO₃

Purity: 95.0%

Molecular weight: 266.12

Ref: 10-F504666