Isoquinoline-substituted triazole and pyran derivatives: synthesis andcomputational studies

Abstract

The one-pot synthesis of novel 1,4-disubstituted 1,2,3-triazoles from isoquinoline-substituted homopropargylalcohol backbone is described (42%{88% yields). A ring closing metathesis reaction and an intramolecular Pauson{Khandreaction of enyne system derived from a homopropargyl alcohol backbone to afford the corresponding isoquinoline-substituted dihydropyran and cyclopentenone-pyran, respectively, are also described (54% and 78% yields). Informationabout the structural, electronic, and physico-chemical properties of the novel compounds, obtained by density functionaltheory application, is also reported.