1-(4-氯苯基)-2-环丙基酮肟醚的设计、 合成及杀虫活性

采用中间体衍生化方法, 以环唑醇中间体1-(4-氯苯基)-2-环丙基丙酮作为基本骨架, 引入肟醚活性片段, 合成了32个新的1-(4-氯苯基)-2-环丙基酮肟醚类化合物, 其化学结构经核磁共振波谱和质谱等确认. 单晶X衍射分析表明, 化合物2n属于单斜晶系, 空间群为P2₁/c. 生物活性筛选结果表明, 化合物1i在200 mg/L浓度下对蚜虫的致死率为78.57%; 化合物1g在200 mg/L浓度下对红蜘蛛的致死率为69.95%; 化合物1i在200和12.5 mg/L浓度下对黏虫的致死率分别为100%和85%.     

5-吡唑甲酰胺类衍生物的设计、 合成与生物活性

以2种5-吡唑甲酸为原料, 分别与噻唑胺和苯并呋喃胺发生缩合反应, 制备了23个新的5-吡唑甲酰胺类化合物; 采用核磁共振波谱和质谱等对目标化合物结构进行了表征; 对化合物B1和B3进行了量子化学计算、 前沿分子轨道及分子范德华表面静电势分析. 生物活性实验结果表明, 在500 mg/L浓度下部分化合物对黏虫和蚜虫有良好的杀虫活性, 其中化合物A1和B1对黏虫的致死率均为100%, 化合物B3, B4和C9对蚜虫的致死率分别为100%, 100%和95.54%; 在25 mg/L浓度下化合物A3对烟草赤星病菌的抑制率、 化合物C7对小麦赤霉病菌的抑制率以及化合物A1和A4对油菜菌核病菌的抑制率均大于50%.     

Synthesis,Crystal Structure and Antitumor Activity of 4-(tert-butyl)-5-(1H-1,2,4-triazol-1-yl)-N-(2-hydroxy-3,5-diiodinebenzyl)-thiazol-2-amine

The title compound, 4-(tert-butyl)-5-(1H-1,2,4-triazol-1-yl)-N-(2-hydroxy-3,5-diiodinebenzyl)thiazol-2-amine, was synthesized via the reduction of 4-(tert-butyl)-5-(1H-1,2,4-triazol-1-yl)-N-benzylidene-thiazol-2-amine with Na BH4, and its crystal structure was determined by single-crystal X-ray diffraction. The compound crystallizes in monoclinic system, space group P21/c with a = 7.91944(19), b = 10.5250(3), c = 24.4985(6) , Z = 4, V = 2041.66(9) 3, Mr = 599.22, Dc = 1.949 Mg/m3, S = 1.120, μ = 3.203 mm-1, F(000) = 1152, the final R = 0.0283 and wR = 0.0592 for 3490 observed reflections(Ⅰ 2σ(Ⅰ)). X-ray analysis displays that the crystal water takes part in three intermolecular hydrogen bonds of O(2)–H(2A)···O(1), O(2)–H(2B)···N(1) and N(5)–H(5)···O(2), and an octatomic ring is formed via intramolecular hydrogen bond of O(1)–H(1A)···N(4). Furthermore, the Ⅰ···Ⅰ contacts are involved in stabilizing the overall three-dimensional network structure. The preliminary biological test shows the title compound has good antitumor activity with the IC50 value of 26 μM against the Hela cell line.