Synthesis and Ab Initio Study of Pyrano[2,3-d]pyrimidine Derivatives

Abstract

<em>Tetrahydrobenzo[b]pyran derivatives 1 were utilized for the synthesis of several new pyrano[2,3-d]pyrimidine derivatives 2. Compound 2 was obtained in the presence of Ac₂O/H₂SO₄(as a catalyst) and was confirmed by spectroscopic data such as IR, ¹H NMR and¹³C NMR. Ab initio calculation was carried out to study geometric optimization, thermodynamic parameters, aromaticity and dynamic process of conformational analysis for compound 2.</em>