CAS 1258621-89-4

2-[4-(Methoxycarbonyl)phenyl]-4-pyridinecarboxylic acid

Description:

2-[4-(Methoxycarbonyl)phenyl]-4-pyridinecarboxylic acid, identified by its CAS number 1258621-89-4, is an organic compound characterized by its complex structure that includes both pyridine and aromatic functionalities. This compound features a pyridine ring substituted with a carboxylic acid group and a phenyl group that is further substituted with a methoxycarbonyl group, indicating the presence of an ester functional group. The methoxycarbonyl moiety contributes to its potential as a building block in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. The presence of both acidic and basic functional groups in its structure suggests that it may exhibit amphoteric properties, allowing it to participate in various chemical reactions, including esterification and amidation. Additionally, the compound's solubility and reactivity can be influenced by the substituents on the aromatic rings, making it a versatile candidate for further chemical modifications. Overall, this compound's unique structural features make it of interest in medicinal chemistry and materials science.

Formula: C₁₄H₁₁NO₄

InChI: InChI=1S/C14H11NO4/c1-19-14(18)10-4-2-9(3-5-10)12-8-11(13(16)17)6-7-15-12/h2-8H,1H3,(H,16,17)

InChI key: InChIKey=LPZDSRMLEOKDQE-UHFFFAOYSA-N

SMILES: C(O)(=O)C=1C=C(N=CC1)C2=CC=C(C(OC)=O)C=C2

Synonyms:

• 4-Pyridinecarboxylic acid, 2-[4-(methoxycarbonyl)phenyl]-
• 2-[4-(Methoxycarbonyl)phenyl]-4-pyridinecarboxylic acid