CAS 1263211-73-9

6-(1-Methylethyl)-3-(phenylmethyl)isoxazolo[5,4-b]pyridine-4-carboxylic acid

Description:

6-(1-Methylethyl)-3-(phenylmethyl)isoxazolo[5,4-b]pyridine-4-carboxylic acid is a chemical compound characterized by its complex structure, which includes an isoxazole ring fused to a pyridine moiety. This compound features a carboxylic acid functional group, contributing to its acidic properties. The presence of the isopropyl group (1-methylethyl) and the phenylmethyl group enhances its hydrophobic characteristics, potentially influencing its solubility and interaction with biological systems. The unique arrangement of these functional groups may impart specific pharmacological properties, making it of interest in medicinal chemistry. Additionally, the compound's molecular structure suggests potential for various chemical reactions, including esterification and amide formation, which could be explored for further functionalization. Its CAS number, 1263211-73-9, allows for precise identification in chemical databases, facilitating research and development in various applications, including drug discovery and development. Overall, this compound exemplifies the intricate relationship between molecular structure and chemical behavior, highlighting its potential utility in scientific research.

Formula: C₁₇H₁₆N₂O₃

InChI: InChI=1S/C17H16N2O3/c1-10(2)13-9-12(17(20)21)15-14(19-22-16(15)18-13)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,20,21)

InChI key: InChIKey=YHRMGBFHNCJUEF-UHFFFAOYSA-N

SMILES: C(C=1C=2C(=NC(C(C)C)=CC2C(O)=O)ON1)C3=CC=CC=C3

Synonyms:

• Isoxazolo[5,4-b]pyridine-4-carboxylic acid, 6-(1-methylethyl)-3-(phenylmethyl)-
• 6-(1-Methylethyl)-3-(phenylmethyl)isoxazolo[5,4-b]pyridine-4-carboxylic acid