CAS 864292-99-9

Benzoic acid, 2-amino-5-fluoro-4-methoxy-, methyl ester

Description:

Benzoic acid, 2-amino-5-fluoro-4-methoxy-, methyl ester, identified by the CAS number 864292-99-9, is an organic compound characterized by its benzoic acid core modified with specific functional groups. This compound features an amino group (-NH2) at the 2-position, a fluorine atom at the 5-position, and a methoxy group (-OCH3) at the 4-position of the benzene ring, along with a methyl ester functional group (-COOCH3). These substitutions contribute to its unique chemical properties, including potential solubility in organic solvents and varying reactivity due to the presence of the amino and methoxy groups. The fluorine atom can influence the compound's electronic properties and stability. Benzoic acid derivatives often exhibit biological activity, making this compound of interest in pharmaceutical and agrochemical research. Its synthesis typically involves standard organic reactions such as esterification and substitution reactions. Safety data should be consulted for handling, as with all chemical substances, to ensure proper precautions are taken.

Formula: C₉H₁₀FNO₃

InChI: InChI=1S/C9H10FNO3/c1-13-8-4-7(11)5(3-6(8)10)9(12)14-2/h3-4H,11H2,1-2H3

InChI key: InChIKey=XIURVKGLLDXVNH-UHFFFAOYSA-N

SMILES: C(OC)(=O)C1=C(N)C=C(OC)C(F)=C1

Synonyms:

• Methyl 2-amino-5-fluoro-4-methoxybenzoate
• Benzoic acid, 2-amino-5-fluoro-4-methoxy-, methyl ester