Synthesis and characterization of a novel supported N-piperidine sulfamic acid on magnetic nanoparticles as a nanocatalyst for synthesis of pyrimido[4,5-c]pyridazines derivatives under ambient conditions and theoretical study on the mechanism using a DFT method

Abstract

In this study, magnetic nanoparticles (Fe3O4 NPs) were employed as good support for N-piperidine sulfamic acid to prepare a novel nanocatalyst (SA-PPCA–Fe3O4 NPs). This nanocatalyst was then characterized by different techniques such as FT-IR, XRD, TGA, SEM, TEM and VSM. The catalytic activity of the SA-PPCA–Fe3O4 NPs was studied by one-pot preparation of pyrimido[4,5-c]pyridazines derivatives from three-component reactions of 1,3-dimethylthiobarbituric acid or 1,3-diethylthiobarbituric acid with different arylglyoxals and hydrazine monohydrate at ambient conditions. SA-PPCA–Fe3O4 NPs exhibited excellent advantages such as simplicity, high yields, short reaction time, easily separation using an external magnet, bio eco-friendly and recoverability and reusability with no remarkable loss of catalytic efficiency. In this work, density functional theory and modeling were reported to investigate of mechanism of the reaction. In fact, this study gives an insight into the mechanism of the pyrimido[4,5-c]pyridazines reaction in the presence of nanocatalyst of SA-PPCA–Fe3O4 NPs.