CAS 1105193-27-8

5-Isoxazolepropanol, 3-methyl-, 5-methanesulfonate

Description:

5-Isoxazolepropanol, 3-methyl-, 5-methanesulfonate, identified by its CAS number 1105193-27-8, is a chemical compound characterized by its isoxazole ring structure, which contributes to its unique reactivity and properties. This compound typically features a propanol moiety, indicating the presence of a hydroxyl group (-OH) that can participate in hydrogen bonding, enhancing its solubility in polar solvents. The methyl group at the 3-position of the isoxazole ring may influence its steric and electronic properties, potentially affecting its biological activity. The methanesulfonate group serves as a leaving group in various chemical reactions, making the compound useful in synthetic applications. Additionally, the presence of the isoxazole ring suggests potential applications in pharmaceuticals or agrochemicals, as isoxazole derivatives are often associated with various biological activities. Overall, the combination of these structural features contributes to the compound's reactivity, solubility, and potential utility in chemical synthesis and medicinal chemistry.

Formula: C₈H₁₃NO₄S

InChI: InChI=1S/C8H13NO4S/c1-7-6-8(13-9-7)4-3-5-12-14(2,10)11/h6H,3-5H2,1-2H3

InChI key: InChIKey=GLGXSOYPGQBOAQ-UHFFFAOYSA-N

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

Synonyms:

• 5-Isoxazolepropanol, 3-methyl-, 5-methanesulfonate