CAS 1261954-99-7

5-[4-(1,1-Dimethylethyl)phenyl]-1,2-dihydro-2-oxo-4-pyridinecarboxylic acid

Description:

5-[4-(1,1-Dimethylethyl)phenyl]-1,2-dihydro-2-oxo-4-pyridinecarboxylic acid, with the CAS number 1261954-99-7, is a chemical compound characterized by its complex structure, which includes a pyridine ring and a carboxylic acid functional group. This compound features a 1,2-dihydro-2-oxo moiety, indicating the presence of a ketone and a saturated ring system. The tert-butyl group (1,1-dimethylethyl) attached to the phenyl ring contributes to its hydrophobic characteristics, potentially influencing its solubility and reactivity. The presence of the carboxylic acid group suggests that it can participate in acid-base reactions and may exhibit biological activity, possibly acting as a ligand or a precursor in synthetic pathways. Its molecular structure may allow for various interactions, making it of interest in medicinal chemistry and material science. However, specific properties such as melting point, boiling point, and solubility would require empirical data for precise characterization.

Formula: C₁₆H₁₇NO₃

InChI: InChI=1S/C16H17NO3/c1-16(2,3)11-6-4-10(5-7-11)13-9-17-14(18)8-12(13)15(19)20/h4-9H,1-3H3,(H,17,18)(H,19,20)

InChI key: InChIKey=YQBLRHVZFWIFLH-UHFFFAOYSA-N

SMILES: C(O)(=O)C=1C(=CNC(=O)C1)C2=CC=C(C(C)(C)C)C=C2

Synonyms:

• 4-Pyridinecarboxylic acid, 5-[4-(1,1-dimethylethyl)phenyl]-1,2-dihydro-2-oxo-
• 5-[4-(1,1-Dimethylethyl)phenyl]-1,2-dihydro-2-oxo-4-pyridinecarboxylic acid

2-Hydroxy-5-(4-t-butylphenyl)isonicotinic acid

CAS: 1261954-99-7

Formula: C₁₆H₁₇NO₃

Molecular weight: 271.3111

Ref: IN-DA00HNX3