CAS 1149388-52-2

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

Description:

Benzoic acid, 5-amino-4-cyano-2-fluoro-, methyl ester is an organic compound characterized by its functional groups, which include an amino group, a cyano group, and a methyl ester. This compound features a benzoic acid backbone, indicating it has a carboxylic acid derivative structure, but in this case, the carboxylic acid is esterified with methanol, forming a methyl ester. The presence of a fluorine atom at the 2-position of the aromatic ring introduces unique electronic and steric properties, potentially influencing its reactivity and solubility. The amino group at the 5-position can participate in hydrogen bonding and may enhance the compound's biological activity. The cyano group at the 4-position contributes to the compound's polarity and can also serve as a site for further chemical modifications. Overall, this compound may exhibit interesting chemical behavior and potential applications in pharmaceuticals or agrochemicals, although specific properties such as solubility, melting point, and reactivity would need to be determined through experimental data.

Formula: C₉H₇FN₂O₂

InChI: InChI=1S/C9H7FN2O2/c1-14-9(13)6-3-8(12)5(4-11)2-7(6)10/h2-3H,12H2,1H3

InChI key: InChIKey=UZCAYVDROGOEHD-UHFFFAOYSA-N

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

Synonyms:

• Methyl 5-amino-4-cyano-2-fluorobenzoate
• Benzoic acid, 5-amino-4-cyano-2-fluoro-, methyl ester