CAS 1119449-83-0

4-[[(3,5-Dimethyl-4-isoxazolyl)methoxy]methyl]-5-methyl-3-isoxazolecarboxylic acid

Description:

4-[[(3,5-Dimethyl-4-isoxazolyl)methoxy]methyl]-5-methyl-3-isoxazolecarboxylic acid, identified by its CAS number 1119449-83-0, is a chemical compound characterized by its isoxazole moieties, which are five-membered heterocycles containing nitrogen and oxygen. This compound features a carboxylic acid functional group, contributing to its acidic properties. The presence of multiple methyl groups enhances its lipophilicity, potentially influencing its solubility and biological activity. The methoxy and methylene linkages suggest that it may exhibit interesting reactivity and could participate in various chemical transformations. Its structural complexity indicates potential applications in medicinal chemistry, particularly in the development of pharmaceuticals targeting specific biological pathways. The isoxazole rings may also contribute to its pharmacological properties, as heterocycles are often found in bioactive compounds. Overall, this substance's unique structural features and functional groups make it a candidate for further investigation in chemical and biological research.

Formula: C₁₂H₁₄N₂O₅

InChI: InChI=1S/C12H14N2O5/c1-6-9(7(2)18-13-6)4-17-5-10-8(3)19-14-11(10)12(15)16/h4-5H2,1-3H3,(H,15,16)

InChI key: InChIKey=HGZHUHOJDTZSQD-UHFFFAOYSA-N

SMILES: C(OCC=1C(C)=NOC1C)C=2C(C(O)=O)=NOC2C

Synonyms:

• 3-Isoxazolecarboxylic acid, 4-[[(3,5-dimethyl-4-isoxazolyl)methoxy]methyl]-5-methyl-
• 4-[[(3,5-Dimethyl-4-isoxazolyl)methoxy]methyl]-5-methyl-3-isoxazolecarboxylic acid