Efficient synthesis of novel 1, 2, 3-triazole-based diazepam derivatives by click CuAAC reaction: Spectroscopic characterizations and DFT studies

Unveiling the ion sensing capabailities of ‘click’ derived chalcone-tailored 1,2,3-triazolic isomers for Pb(ii) and Cu(ii) ions: DFT analysis

“…The versatility of CuAAC in producing 1,2,3-triazoles has found remarkable applications, particularly in the development of selective ion sensors. [14][15][16] By judiciously designing triazole-based ligands, these sensors can be tailored to detect specic metal ions with high sensitivity and selectivity. As a result, the coordination abilities of the 1,2,3triazole moiety enable it to interact selectively with certain metal ions, leading to distinct changes in the photophysical properties.…”

Novel 1,2,3-Triazole-Based Benzothiazole Derivatives: Efficient Synthesis, DFT, Molecular Docking, and ADMET Studies

“…Due to the importance and application of 1,2,3-triazoles bearing the benzothiazole group [ 27 , 28 ], the synthesis of these derivatives is essential for organic chemists and biologists, and efforts are underway to design drugs based on these compounds with high activity and lower toxicity. As a result of our group’s experience synthesizing 1,4-disubstituted 1,2,3-triazole derivatives [ 29 , 30 , 31 , 32 , 33 , 34 ], the new 1,2,3-triazoles were prepared using benzothiazole groups 5a – f via a 1,3-dipolar cycloaddition of S -propargylated mercaptobenzothiazole 3 , sodium azide, and α-halo ester/amide 4 in the presence of CuSO 4 /sodium ascorbate in a mixture of H 2 O/ t -BuOH ( Scheme 1 ). The density functional theory (DFT) calculations, with the B3LYP/6-31 + G(d, p ) method, were applied to investigate the physicochemical properties of the characterized structure of 5e , including structural, electronic, and spectral analysis.…”