CAS 141109-15-1: Benzeneacetic acid, α-amino-2-chloro-, methyl ester, (αS)-, (2R,3R)-2,3-dihydroxybutanedioate (1:1)
Description:Benzeneacetic acid, α-amino-2-chloro-, methyl ester, (αS)-, (2R,3R)-2,3-dihydroxybutanedioate (1:1), with CAS number 141109-15-1, is a complex organic compound characterized by its specific stereochemistry and functional groups. This substance features a benzene ring, which contributes to its aromatic properties, and an α-amino group that indicates its classification as an amino acid derivative. The presence of a chloro substituent suggests potential reactivity, while the methyl ester group indicates that it can undergo hydrolysis to yield the corresponding acid. The dihydroxybutanedioate component adds to its molecular complexity, providing sites for hydrogen bonding and potential interactions in biological systems. This compound may exhibit specific biological activities due to its structural features, making it of interest in pharmaceutical and biochemical research. Its stereochemistry, particularly the (αS) and (2R,3R) configurations, is crucial for determining its interactions and reactivity in various chemical environments. Overall, this compound exemplifies the intricate relationships between structure and function in organic chemistry.
Formula:C9H10ClNO2·C4H6O6
InChI:InChI=1S/C9H10ClNO2.C4H6O6/c1-13-9(12)8(11)6-4-2-3-5-7(6)10;5-1(3(7)8)2(6)4(9)10/h2-5,8H,11H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t8-;1-,2-/m01/s1
InChI key:InChIKey=FVKGOSHITUHKGR-YIDNRZKSSA-N
SMILES:O=C(O)C(O)C(O)C(=O)O.O=C(OC)C(N)C=1C=CC=CC1Cl
- Synonyms:
- Benzeneacetic acid, α-amino-2-chloro-, methyl ester, (+)-, [R-(R*,R*)]-2,3-dihydroxybutanedioate (1:1)
- Benzeneacetic acid, α-amino-2-chloro-, methyl ester, (αS)-, (2R,3R)-2,3-dihydroxybutanedioate (1:1)
