Coumarin‐Tethered‐1,2,3‐Triazoles: Synthesis, Characterization, Antimicrobial Evaluation, and DFT Studies

A new series of Coumarin‐tethered‐1,2,3‐triazoles (7a–i and 9a–f) were synthesized by the copper‐assisted 1,3‐dipolar cycloaddition reaction of coumarin alkyne (5) with variedly substituted azides (6a–I and 8a–f). All the synthesized compounds were spectroscopically characterized and in vitro antimicrobial testing against a panel of bacterial and fungal strains was systematically carried out. The compounds bearing 3‐Cl (7b) and 2‐NO2 (7i) substituents which emerged as the most potent compounds of the series showed noticeable activity against Staphylococcus aureus. Additionally, density functional theory (DFT) calculations were conducted to explore the chemical reactivity and stability parameters of the compounds. A series of Coumarin‐tethered‐1,2,3‐triazoles are synthesized via copper‐assisted 1,3‐dipolar cycloaddition, followed by spectroscopic characterization. The antimicrobial evaluation highlights 3‐Cl and 2‐NO2 derivatives as the most potent against Staphylococcus aureus. Additionally, density functional theory (DFT) calculations are performed to investigate the chemical reactivity and stability of these novel compounds.