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cis- double aromatic neonicotinoid compound synthesis, structure, biological activity and molecular docking studies
Author: JinJia
Tutor: XueSiJia
School: Shanghai Normal University
Course: Organic Chemistry
Keywords: Double aromatic ring neonicotinoid compounds Nitenpyram cis- configuration Molecular docking model Insecticidal activity
CLC: S482.3
Type: Master's thesis
Year: 2010
Downloads: 70
Quote: 0
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Abstract
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In order to meet the 21st century, seeking and screening requirements of the development of lead compounds neonicotinoids , this article from the commercialization of pesticides nitenpyram departure , after class Mannich reaction , through the formation of cis- tetrahydro- pyrimidine ring fixed configuration thus introduction of a new aromatic ring , designed and synthesized 26 unreported neonicotinoid compounds Ⅰ a ~ Ⅰ d, Ⅱ e ~ Ⅱ z. Using proton nuclear magnetic resonance spectroscopy (1H NMR), infrared spectroscopy (IR), mass spectrometry (EI-MS, ESI-MS), elemental analysis of target compounds were characterized , and their physical properties , spectral properties , reaction conditions and synthetic methods for a more systematic analysis and discussion. Target compounds Ⅰ a ~ Ⅰ d, Ⅱ e ~ Ⅱ z is structured as follows : commissioned by the National Southern Pesticide Research Center Zhejiang Research Institute of Chemical Pesticides Health test , complete series target compounds insecticidal activity of the preliminary determination ; commissioned by the National Center for Drug Screening for individual high activity of the target compound for acetylcholine activity measurement ; entrust Shanghai Academy of Agricultural Sciences to complete highly active compounds LC50 test ; commissioned by Bayer CropScience compounds for a variety of subjects on the insecticidal activity of testing and pest resistant strains of the insecticidal activity of test results show : Most of the compounds in the 100 mg / L concentration, on the rice brown planthopper (Nilaparvata legen) and alfalfa aphid (Aphis medicagini) a significant role in the killing , death rate of up to 100 %, of which some of the compounds in 20 mg / L concentration, on the rice brown planthopper (Nilaparvata legen) and alfalfa aphid (Aphis medicagini) death rate is still 100% suggests it has excellent potential for further development and research . To further explore the structure of the compound with insecticidal activity relationships , the paper compound Ⅰ d, Ⅱ h, Ⅱ k and Ⅱ n were monocrystalline culture and X. -ray diffraction measurement , a preliminary analysis of compound Ⅰ d, Ⅱ h, Ⅱ k and Ⅱ n crystal structure characteristics , and on this basis by AutoDock 4.0 molecular modeling compounds were docked initially explained its mechanism of action .
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CLC: > Agricultural Sciences > Plant Protection > Pesticide ( chemical control ) > Various pesticides > Pesticides
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