CAS 1424394-95-5

3-(1,1-Dimethylethyl)-4,5-dihydro-5-methyl-5-isoxazolecarboxylic acid

Description:

3-(1,1-Dimethylethyl)-4,5-dihydro-5-methyl-5-isoxazolecarboxylic acid, identified by its CAS number 1424394-95-5, is a chemical compound characterized by its unique isoxazole structure, which features a five-membered ring containing both nitrogen and oxygen atoms. This compound typically exhibits properties associated with carboxylic acids, such as acidity and the ability to form salts and esters. The presence of the tert-butyl group (1,1-dimethylethyl) contributes to its hydrophobic characteristics, potentially influencing its solubility in various solvents. The dihydro and methyl substituents on the isoxazole ring may affect its reactivity and biological activity, making it of interest in pharmaceutical and agrochemical research. Additionally, the compound's structural features suggest potential applications in medicinal chemistry, particularly in the development of novel therapeutic agents. As with many organic compounds, its stability, reactivity, and interactions with other substances can vary based on environmental conditions such as pH and temperature.

Formula: C₉H₁₅NO₃

InChI: InChI=1S/C9H15NO3/c1-8(2,3)6-5-9(4,7(11)12)13-10-6/h5H2,1-4H3,(H,11,12)

InChI key: InChIKey=UYNJMTNUXYKTJJ-UHFFFAOYSA-N

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

Synonyms:

• 3-(1,1-Dimethylethyl)-4,5-dihydro-5-methyl-5-isoxazolecarboxylic acid
• 5-Isoxazolecarboxylic acid, 3-(1,1-dimethylethyl)-4,5-dihydro-5-methyl-

3-tert-Butyl-5-methyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid

CAS: 1424394-95-5

Versatile small molecule scaffold

Formula: C₉H₁₅NO₃

Purity: Min. 95%

Molecular weight: 185.22 g/mol

Ref: 3D-ZGC39495