Synthesis, Biological Activity and Molecular Docking Study of Some New Chalcones, 5,6-dihydropyrimidin-2-ol and 5,6-dihydropyrimidin-2-thiol Derivatives Bearing 1,2,3- Triazoline

Many new chemicals, including chalcones, derivatives of 5,6-dihydropyrimidin-2-ol and 5,6-dihydropyrimidin-2-thiol, are synthesized in this work. The starting materials are substituted acetophenone derivatives involving 1,2,3-triazoline (1). Chalcone derivatives (2a-h) were obtained by condensing compound (1) with some substituted aromatic aldehydes in the presence of 40% potassium hydroxide KOH. The process of producing pyrimidin-2-ol derivatives (3a–e) by cyclizing produced chalcone derivatives (2a–e) urea in the presence of sodium hydroxide. Equivalent pyrimidin-2-thiol derivatives (4a-d) were produced when chalcone derivatives (2a-d) reacted with thiourea in the presence of sodium hydroxide. The target compounds are characterized using 1H-NMR, 13C-NMR, and FT-IR. The findings demonstrate the target compounds' strong biological activity, including their antioxidant and antibacterial properties. The studies on molecular docking.