CAS 918523-46-3

Phenylmethyl 3-amino-6-chloro-2-fluorobenzoate

Description:

Phenylmethyl 3-amino-6-chloro-2-fluorobenzoate, identified by its CAS number 918523-46-3, is a chemical compound that belongs to the class of benzoates, which are esters derived from benzoic acid. This compound features a phenylmethyl group, an amino group, and halogen substituents, specifically chlorine and fluorine, on the aromatic ring. The presence of these functional groups suggests that it may exhibit interesting biological activity, potentially making it relevant in pharmaceutical applications. The amino group can participate in hydrogen bonding, influencing its solubility and reactivity, while the halogen atoms can affect the compound's electronic properties and stability. Additionally, the molecular structure indicates that it may have specific interactions with biological targets, which could be explored in drug design. Overall, the unique combination of functional groups and substituents in Phenylmethyl 3-amino-6-chloro-2-fluorobenzoate contributes to its potential utility in various chemical and biological contexts.

Formula: C₁₄H₁₁ClFNO₂

InChI: InChI=1S/C14H11ClFNO2/c15-10-6-7-11(17)13(16)12(10)14(18)19-8-9-4-2-1-3-5-9/h1-7H,8,17H2

InChI key: InChIKey=BAMWVSNPLCIHRN-UHFFFAOYSA-N

SMILES: C(OCC1=CC=CC=C1)(=O)C2=C(F)C(N)=CC=C2Cl

Synonyms:

• 3-Amino-6-chloro-2-fluorobenzoic acid benzyl ester
• Benzyl 3-amino-6-chloro-2-fluorobenzoate
• Benzoic acid, 3-amino-6-chloro-2-fluoro-, phenylmethyl ester
• Phenylmethyl 3-amino-6-chloro-2-fluorobenzoate