CAS 924859-11-0

Ethyl 4,5-dihydro-5-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-isoxazolecarboxylate

Description:

Ethyl 4,5-dihydro-5-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-isoxazolecarboxylate, identified by its CAS number 924859-11-0, is a chemical compound characterized by its isoxazole ring structure, which is a five-membered heterocyclic compound containing both nitrogen and oxygen. This substance features an ethyl ester functional group, contributing to its solubility and reactivity. The presence of the methoxy-substituted benzodioxole moiety suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to its structural similarity to various bioactive compounds. The compound's unique arrangement of functional groups may impart specific biological activities, making it of interest for further research. Additionally, its molecular structure indicates potential for interactions with biological targets, which could be explored in drug discovery contexts. As with many organic compounds, its stability, reactivity, and potential toxicity would need to be evaluated in detail for practical applications.

Formula: C₁₅H₁₇NO₆

InChI: InChI=1S/C15H17NO6/c1-3-19-15(17)11-7-10(22-16-11)4-9-5-12(18-2)14-13(6-9)20-8-21-14/h5-6,10H,3-4,7-8H2,1-2H3

InChI key: InChIKey=HUMMKHNPPXHGPO-UHFFFAOYSA-N

SMILES: O(C)C1=C2C(=CC(CC3CC(C(OCC)=O)=NO3)=C1)OCO2

Synonyms:

• 3-Isoxazolecarboxylic acid, 4,5-dihydro-5-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-, ethyl ester
• Ethyl 4,5-dihydro-5-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-isoxazolecarboxylate