Study On The Synthesis, Characterization, Quantum Chemistry Calculation And QSAR Of The Novel Triazole Compounds

Triazole compounds have been paid much more attention because of their wide spread biological activities, some of which have been developed and used as fungicides, medicines and plant growth regulators. Triazole compounds with different structures have different biological activities, so developing triazole compounds with novel structures has always been the research focus at present.In this thesis, recent advances on the structures, synthesis, action mechanism, structure-activity relationship and biological activities of triazoles have been reviewed. According to putting together the active sub-structure and the rule of bioisosterism, different active groups with different action mechanism were introduced into the triazole compounds and seventy-six novel triazole compounds in four series were designed and synthesized. Eighteen single crystals of these complexes were also cultivated successfully.â… 1,3,4-oxadiazole and its derivatives have received increasing interests in the agrochemical and pharmaceutical fields because of their unique and diverse biological properties. In order to obtain further information about their fungicidal activity, 18 new compounds have been synthesized by jointing the substructures of both 1,3,4-oxadiazole and 1,2,4-triazole.