Abstract
In order to investigate the biological activity of 1,2,4-triazole compounds, seventeen novel 1,2,4-triazole derivatives containing 1,2,3-thiadiazole moieties were synthesized by multi-step reactions under microwave assisted conditions. The structures were characterized by 1H-NMR, 13C-NMR, MS and elemental analyses. The target compounds were evaluated for their in vivo fungicidal activities against Corynespora cassiicola, Pseudomonas syringae pv. Lachrymans, and Pseudoperonospora cubensis, and the results indicated that some of the title compounds displayed good fungicidal activities. Theoretical calculations on the title compounds were carried out at the B3LYP/6-31G (d,p). level. The full geometry optimization was carried out using the 6-31G(d,p) basis set, and the frontier orbital energy, atomic net charges were discussed, and the structure-activity relationships were also studied.
Highlights
In recent years, heterocyclic compounds had been receiving considerable attention due to their pharmacological and pesticidal importance [1,2,3,4,5,6,7,8,9]
The synthesis procedures for title compounds are shown in Scheme 1
The intermediate 1 was synthesized from diethyl carbonate and 85% hydrazine hydrate at room temperature
Summary
Heterocyclic compounds had been receiving considerable attention due to their pharmacological and pesticidal importance [1,2,3,4,5,6,7,8,9]. 1,2,4-Triazole and its derivatives represent one of the most biologically active classes of compounds, displaying a diversity bioactivities in the medicinal and agrochemical field, including anti-inflammatory [12,13], antifungal [14,15], herbicidal [16], antimicrobial [16,17], antiparasitic [18], cytostatic [19], and brassinosteroid biosynthesis inhibitory activities [20]. Some such compounds had been developed as commercial fungicides or herbicides (Figure 1), such as triadimefon, triadimenol, flusilazole, flupoxam and so on. The antifungal activities of these compounds were tested in vivo
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