Synthesis, Characterization, Cyclic Voltammetry Survey, and Computational Investigation of a New Series of Organoselenium Derivatives Based on N-(4-Benzoylphenyl)-2-selenocyanatoacetamide

This study aims to synthesize and characterize new organoselenium compounds with potential redox and biological applications. The synthesis was performed by reacting N-(4-benzoylphenyl)-2-chloroacetamide with elemental selenium and potassium cyanide in DMSO under an argon atmosphere to afford a selenocyanatoacetamide intermediate, which was further halogenated to yield selenium trihalide derivatives. Structural confirmation was achieved through FTIR, 1H-NMR, and MS. Electrochemical analysis using cyclic voltammetry revealed significant redox activity, while DFT calculations provided insight into the electronic distribution and stability of the molecules. These findings suggest that the synthesized organoselenium compounds possess promising redox characteristics, supporting their potential as antioxidants or anticancer agents.