Efficient One‐Pot Copper(I)‐Catalyzed Azide–Alkyne Cycloaddition in Water: Triazole Synthesis, Catalytic Applications, DFT Studies, and Biological Evaluation

Key Points

• This research aims to develop a highly efficient method for synthesizing triazoles using copper(I) catalysts in water and evaluate their biological activities.
• Synthesis of Cu–N-heterocyclic carbene complexes was conducted, verified using NMR, HRMS, and elemental analysis.
• Catalytic performance of these complexes was assessed in the cycloaddition of azides and alkynes, achieving isolated yields of 80%-91%.
• Biological evaluation involved testing against various cancer cell lines and antioxidant assays using DPPH and ABTS.
• 1,4-Disubstituted triazoles were produced with isolated yields ranging from 80% to 91%.
• Several synthesized compounds demonstrated significant anticancer activity against A549, HCT116, and BEAS-2B cell lines.
• Compound 2 exhibited strong performance in antioxidant assays, showcasing its potential therapeutic benefits.