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

Authors

Hayder Raheem Ali, Department of chemistry, College of Science, University of Karbala, Karbala, Iraq.Follow
Ahmed Wahed Naser, Department of chemistry, College of Science, University of Baghdad, Baghdad, Iraq.Follow

Abstract

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.

Keywords

Antibacterial, Antioxidants, Chalcone, Molecular Docking, Pyrimidine.

Subject Area

Chemistry

Article Type

Article

First Page

2500

Last Page

2516

Creative Commons License

This work is licensed under a Creative Commons Attribution 4.0 International License.

How to Cite this Article

Ali, Hayder Raheem and Naser, Ahmed Wahed (2025) "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," Baghdad Science Journal: Vol. 22: Iss. 8, Article 3.
DOI: https://doi.org/10.21123/2411-7986.5013