Synthesis, Dft Calculations and Catalytic Activity in the Biginelli Reaction of Two Hydrazone Cu(Ii) Complexes

In this work, two cu(ii) complexes containing 5-amino- 1-r-1h-benzimidazol-4-yl)(4-chloro)phenylmethanone hydrazones ligands were synthesized and their spectral characterization, dft calculations, and catalytic activity were reported. new heterocyclic hydrazone ligands were prepared by the reaction of o-amino-ketones with hydrazine hydrate in high yield. structural assignments of new compounds were based on their microanalytical and spectral data and formula [cu(l)2(h2o)2](so4) was suggested for complexes. moreover, to gain a further insight into the geometry of synthesized complexes, the dft calculations were carried out at the b3lyp/6- 311+g(d,p) level of theory. the catalytic activity of cu(ii) complexes as heterogeneous catalysts were also investigated in the synthesis of biologically active compound 3,4-dihydropyrimidin- 2(1h)-one c5 ester, via classical biginelli reaction followed by trans-esterification reaction. the results confirmed that the current method formed the products at the lower reaction time and high yields, which might as a result of the enhanced reactivity of the reactants on the surface sites of cu(ii) complexes.