CAS 1048920-46-2

5-Butyl-3-(1-methylethyl)-4-isoxazolecarboxylic acid

Description:

5-Butyl-3-(1-methylethyl)-4-isoxazolecarboxylic acid is a chemical compound characterized by its isoxazole ring, which is a five-membered heterocyclic structure containing both nitrogen and oxygen. This compound features a butyl group and an isopropyl group, contributing to its hydrophobic characteristics, which may influence its solubility and interaction with biological systems. The presence of the carboxylic acid functional group suggests that it can participate in acid-base reactions and may exhibit polar characteristics, allowing for potential hydrogen bonding. The isoxazole moiety is known for its biological activity, often being involved in various pharmacological effects. This compound may be of interest in medicinal chemistry and drug development due to its unique structure and potential therapeutic applications. Its specific properties, such as melting point, boiling point, and reactivity, would require empirical data for precise characterization. Overall, 5-Butyl-3-(1-methylethyl)-4-isoxazolecarboxylic acid represents a complex organic molecule with potential significance in various chemical and biological contexts.

Formula: C₁₁H₁₇NO₃

InChI: InChI=1S/C11H17NO3/c1-4-5-6-8-9(11(13)14)10(7(2)3)12-15-8/h7H,4-6H2,1-3H3,(H,13,14)

InChI key: InChIKey=GVZZRKSXALRIGU-UHFFFAOYSA-N

SMILES: C(O)(=O)C=1C(C(C)C)=NOC1CCCC

Synonyms:

• 5-Butyl-3-(1-methylethyl)-4-isoxazolecarboxylic acid
• 4-Isoxazolecarboxylic acid, 5-butyl-3-(1-methylethyl)-