CAS 1351398-31-6

Methyl 1-[2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethyl]-1H-1,2,3-triazole-4-carboxylate

Description:

Methyl 1-[2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethyl]-1H-1,2,3-triazole-4-carboxylate is a chemical compound characterized by its complex structure, which includes a triazole ring and an isoindole derivative. This compound features a methyl ester functional group, contributing to its reactivity and solubility in organic solvents. The presence of the triazole moiety suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to its ability to form hydrogen bonds and participate in various chemical reactions. The isoindole component may impart additional biological activity, making it of interest in drug discovery. The compound's molecular weight, solubility, and stability can vary depending on environmental conditions and the presence of other functional groups. Overall, this substance exemplifies the intricate interplay of structural features that can influence its chemical behavior and potential applications in various fields, including organic synthesis and medicinal chemistry.

Formula: C₁₄H₁₂N₄O₄

InChI: InChI=1S/C14H12N4O4/c1-22-14(21)11-8-17(16-15-11)6-7-18-12(19)9-4-2-3-5-10(9)13(18)20/h2-5,8H,6-7H2,1H3

InChI key: InChIKey=JKJFWSCPZVOICJ-UHFFFAOYSA-N

SMILES: O=C1C=2C(C(=O)N1CCN3C=C(C(OC)=O)N=N3)=CC=CC2

Synonyms:

• 1H-1,2,3-Triazole-4-carboxylic acid, 1-[2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethyl]-, methyl ester
• Methyl 1-[2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethyl]-1H-1,2,3-triazole-4-carboxylate