CAS 712286-89-0

3-[(2-Chloroacetyl)amino]-4-methoxybenzoic acid

Description:

3-[(2-Chloroacetyl)amino]-4-methoxybenzoic acid, with the CAS number 712286-89-0, is an organic compound characterized by its aromatic structure and functional groups. It features a methoxy group (-OCH3) and an amino group (-NH2) attached to a benzoic acid framework, along with a chloroacetyl substituent. This compound is typically a white to off-white solid and is soluble in polar organic solvents. Its molecular structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to the presence of the chloroacetyl moiety, which can enhance biological activity. The compound may exhibit various chemical properties, including acidity due to the carboxylic acid group, and reactivity due to the chloroacetyl group, making it a candidate for further chemical modifications. Additionally, its synthesis and characterization would involve standard organic chemistry techniques, including spectroscopic methods for confirmation of structure. Overall, this compound represents a versatile building block in organic synthesis and drug development.

Formula: C₁₀H₁₀ClNO₄

InChI: InChI=1S/C10H10ClNO4/c1-16-8-3-2-6(10(14)15)4-7(8)12-9(13)5-11/h2-4H,5H2,1H3,(H,12,13)(H,14,15)

InChI key: InChIKey=NYUQPJIDMTVXAL-UHFFFAOYSA-N

SMILES: N(C(CCl)=O)C1=C(OC)C=CC(C(O)=O)=C1