CAS 1263378-15-9

3-Methyl-5-(1-methylpropyl)-4-isoxazolecarboxylic acid

Description:

3-Methyl-5-(1-methylpropyl)-4-isoxazolecarboxylic acid, identified by its CAS number 1263378-15-9, is a chemical compound that belongs to the class of isoxazole derivatives. This substance features a five-membered heterocyclic ring containing both nitrogen and oxygen atoms, which contributes to its unique chemical properties. The presence of a carboxylic acid functional group (-COOH) indicates that it can participate in acid-base reactions and may exhibit polar characteristics, enhancing its solubility in polar solvents. The methyl and isopropyl substituents on the isoxazole ring influence its steric and electronic properties, potentially affecting its biological activity and interactions with other molecules. Compounds of this type are often studied for their pharmacological properties, including anti-inflammatory and analgesic effects. Additionally, the structural features may allow for various synthetic modifications, making it a candidate for further research in medicinal chemistry and drug development. Overall, 3-Methyl-5-(1-methylpropyl)-4-isoxazolecarboxylic acid represents a significant compound in the exploration of novel therapeutic agents.

Formula: C₉H₁₃NO₃

InChI: InChI=1S/C9H13NO3/c1-4-5(2)8-7(9(11)12)6(3)10-13-8/h5H,4H2,1-3H3,(H,11,12)

InChI key: InChIKey=UOZSJGYNRQFJJB-UHFFFAOYSA-N

SMILES: C(CC)(C)C1=C(C(O)=O)C(C)=NO1

Synonyms:

• 3-Methyl-5-(1-methylpropyl)-4-isoxazolecarboxylic acid
• 4-Isoxazolecarboxylic acid, 3-methyl-5-(1-methylpropyl)-