Studies On The Synthesis, Biological Activities And Thermodynamic Properties Of The Pyrimidine And Triazole Compounds Containing Nitrogen Heterocycles

Twenty four new pyrimethanil organic acid salts were synthesized with pyrimethanil and biological acids as materials. Their structures have been confirmed by ~1H NMR, IR and elemental analysis. The preliminary biological activities tests showed that most of them exhibited excellent fungicidal activities. The relationship between the structures and the biological activities of the pyrimethanil salts has been discussed. These thesis can provide the fundamental data to the new bioactive compound research. The single crystals of pyrimethanil, pyrimethanil 2-methoxynicotinate, pyrimethanil succinic acid monoethyl ester were obtained by recrystallization with the solvent of ethanol at room temperature and their crystal structures were determined by X-ray diffractometer. The results showed the pyrimethanil salts were combined with hydrogen bonds.A new synthetic method of synthesis of Penconazole has been finished by 5 reaction steps. The important intermediate 2-(2,4-dichlorophenyl)-l,2-epoxy-pentane was synthesized by using Ylide sulfur. And then through isomerization to get the 2-(2,4-dichlorophenyl)-valeraldehyde. The 2-(2,4-dichlorophenyl)-valeraldehyde was a new compound obtained in the work. The structure of the penconazole and the intermediate were determined by 'H NMR, IR and elemental analysis. The possible reaction mechanism was discussed also. This new synthesis method can provide asample to the other pesticide and medicines containing triazole.Eight nitrogen heterocycle compounds were measured with the high precision adiabatic calorimeter. These compounds included pyrimethail, pyrimethanil laurate, pyrimethanil decylate. pyrimethanil myristiate. pyrimethanil phenoxyacetate, 2-amino-4,6-dimethoxypyrimidine, penconazole and 2-chloro-N,N-dimethyl-nicotinamide. The molar heat capacities and phase transition temperatures of the enthalpies, entropies of phase transitions, the thermodynamic function data (based on the standard state at 298.15 K) were calculated. The melting process of these compounds was further investigated with DSC. The research work of this thesis filled the blank of the thermodynamic data of these substances. These fundamental data will increase the understanding about these substances and be helpful to the design of industrial devices, the control of processes and refinement of production conditions concerned with these important substances.