CAS 1213049-18-3

(αS)-α-Amino-2-chloro-4-methylbenzeneacetic acid

Description:

(αS)-α-Amino-2-chloro-4-methylbenzeneacetic acid, identified by its CAS number 1213049-18-3, is an amino acid derivative characterized by the presence of a chloro group and a methyl group on a benzene ring. This compound features a chiral center, which contributes to its stereochemistry, specifically the (αS) configuration. The presence of the amino group (-NH2) indicates that it can participate in various biochemical reactions, making it relevant in pharmaceutical applications and research. The chloro substituent can influence the compound's reactivity and interaction with biological targets, while the methyl group may affect its hydrophobicity and overall solubility. The compound's structure suggests potential applications in medicinal chemistry, particularly in the design of drugs that target specific biological pathways. Additionally, its unique characteristics may allow for further exploration in synthetic chemistry and material science. As with many amino acid derivatives, it may exhibit properties such as solubility in polar solvents and the ability to form salts with acids or bases.

Formula: C₉H₁₀ClNO₂

InChI: InChI=1S/C9H10ClNO2/c1-5-2-3-6(7(10)4-5)8(11)9(12)13/h2-4,8H,11H2,1H3,(H,12,13)/t8-/m0/s1

InChI key: InChIKey=UWOBIAGWGUFUMZ-QMMMGPOBSA-N

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

Synonyms:

• (αS)-α-Amino-2-chloro-4-methylbenzeneacetic acid
• Benzeneacetic acid, α-amino-2-chloro-4-methyl-, (αS)-