Computational study of some heterocyclic scaffolds derived from quinazoline and Mannich base Sydnone

Abstract

Abstract

The current study reports design and diversity-oriented synthesis of novel heterocycles incorporating thioureido linkage and mesoionic compounds could find new applications in biology. Employing reagent-based skeletal diversity approach; a facile synthesis of quinazoline and sydnone moiety has been accomplished. The synthesized compounds were characterized by IR and ¹H NMR-spectral data, and elemental analysis. The structural and electronic properties of newly synthesized compounds have been explored theoretically by performing semi-empirical molecular orbital theory at the level of PM6 of theory.  Henceforth, computational chemistry can assist the experimental chemist or it can challenge the experimental chemist to find entirely new chemical objects.

Keywords: Computational study, quinazoline, mannich base, thioureido linkage

Cite this Article

Modi J. Computational Study of Some Heterocyclic Scaffolds Derived from Quinazoline and Mannich Base Sydnone. Journal of Modern Chemistry & Chemical Technology. 2018; 9(3): 8–12p.