In an effort to discover new molecules with good insecticidal activities, a series of 3,5‐bis (2‐hydroxyphenyl)‐1H‐1,2,4‐triazole derivatives were synthesized. The X–ray crystallographic and Hirshfeld surface calculation study of compound 4 c reveal the structural characteristics and strong intermolecular interactions and also evaluated for it's insecticidal activity. The bioassays data demonstrate that all the target compounds possess remarkable activities against broad bean aphid with the mortalities ranging from 98.12% to 100% at the concentration of 100 mg/L. In particular, methyl 4‐[3,5‐bis(2–hydroxyphenyl)‐1H‐1,2,4‐triazol‐1‐yl] benzoate (85.53%) shows higher activity than dinotefuran (85.25%) at the concentration of 10 mg/L whereas other compounds display low activity at the same concentration. The docking model of compound 4a shows possible mechanism of insecticidal action of target compounds. These results indicate that 3,5−bis (2−hydroxyphenyl) ‐1H‐1,2,4–triazole derivatives could be developed as novel and promising insecticides.
A series of deferasirox derivatives of 1,2,4‐triazole (5 a–i,6 a–g) were designed and synthesized by the ring‐opening rearrangement reaction of phenyl hydrazine or its substituents and imines, compounds 5 d–i, 6 e–g are previously unknown. Obtained derivatives were characterized by IR, 1H NMR, 13C NMR, and Mass spectral. The antibacterial activities of all compounds against Staphylococcus aureus, Staphylococcus epidermidis, Escherichia coli, Candida albicans and Aspergillus niger were experimentally evaluated. Most of them exhibited potential antimicrobial activity and promising antifungal activity. Especially, 6 f and 6 g showed the best antimicrobial activity (MIC90=0.125–2.0 μg/mL) against Staphylococcus aureus, Staphylococcus epidermidis and Escherichia coli, while compounds 6 c, 6 e showed excellent antifungal activity (MIC90=0.5–2.0 μg/mL). The molecular docking analysis further revealed that all the synthesized derivatives have shown potential binding affinities.
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