10.1021/jf100300a
This research aims to develop new agrochemicals with enhanced fungicidal and herbicidal activities. The study synthesizes a series of novel trifluoromethyl-substituted 1,2,4-triazole Mannich bases and bis(1,2,4-triazole) Mannich bases containing pyrimidinylpiperazine rings through the Mannich reaction. Key chemicals used include 4-amino-5-trifluoromethyl-4H-1,2,4-triazole-3-thiol, various substituted pyrimidinylpiperazines, and formaldehyde. The synthesized compounds were characterized using IR, 1H NMR, and elemental analysis. Fungicidal tests revealed that many of these compounds exhibited excellent activity against several fungal pathogens, with some outperforming commercial fungicides like Dimethomorph and Thiophanate-methyl. Preliminary herbicidal studies also showed promising results. The study concludes that these novel compounds have potential for further development as effective fungicides and herbicides. Additionally, the research utilized comparative molecular field analysis (CoMFA) to predict and validate the biological activities of the synthesized compounds, providing a foundation for future optimization of these chemical structures.
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