The novel (1-(4-aryl)-1H-1,2,3-triazol-4-yl)methyl, substituted phenyl-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate derivatives were synthesized by the click reaction of the dihydropyrimidinones, bearing a terminal alkynyl group, with various substituted aryl azides at room temperature using a catalytic amount of Cu(OAc)2 and sodium ascorbate in a 1:2 ratio of acetone and water as a solvent. The newly synthesized compounds were characterized by a number of spectroscopic techniques, such as infrared, liquid chromatography-mass spectrometry, 1H, and 13C nuclear magnetic resonance along with single crystal X-ray diffraction. The current procedure for the synthesis of 1,2,3-triazole hybrids with dihydropyrimidinones is appropriate for the synthesis of a library of analogs 7a-l and the method accessible here is operationally simple and has excellent yields. The title compounds 7a-l were evaluated for their in vitro antitubercular activity against H37RV and multidrug-resistant strains of Mycobacterium tuberculosis by resazurin microplate assay plate method and it was found that compound 7d was promising against H37RV and multidrug-resistant strains of M. tuberculosis at 10 and 15 μg/mL, respectively.

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In the present study, We have developed a facile and efficient method for the one-pot five component synthesis of glycoside annulated 1,2,3-triazole based dihydropyrimidinone derivatives using copper ferrite nanomaterials in the present work as heterogeneous catalyst. The quantum chemical investigations for the synthesized compounds have been carried out at the DFT/B3LYP/6-31G(d) level of theory to predict the optimized geometry and different molecular properties. Frontier molecular orbitals, global reactivity descriptors, molecular electrostatic potential map, and thermodynamic parameters have also been reported at the same level of theory.