β-环糊精对丁吡吗啉的包合作用  

Inclusion Interaction of Pyrimorph with β-Cyclodextrin

作　　者：肖玉梅[1] 王健[1] 刘吉平[1] 王明安[1] 袁会珠[2] 覃兆海[1] 

机构地区：[1]中国农业大学理学院,北京100193 [2]中国农业科学院植物保护研究所,北京100193

出　　处：《高等学校化学学报》2009年第4期720-723,共4页Chemical Journal of Chinese Universities

基　　金：国家“十一五”科技支撑计划(批准号:2006BAE01A03-10)资助

摘　　要：采用紫外光谱定量研究了β-环糊精(-βCD)对新型杀菌剂丁吡吗啉的包结行为,结果表明,-βCD与丁吡吗啉形成包结比为1∶1的包结物,其包结常数随温度升高而减小,表明包结是一个放热过程;包结反应热力学参数ΔH,ΔS和ΔG均为负值,说明包结反应是焓变驱动的自发过程.相溶解度实验表明,-βCD能显著提高丁吡吗啉在水中的溶解度,有助于该产品剂型的水基化,且包合对其杀菌活性没有明显影响.对固态包结物的IR和2D ROESY分析表征表明,丁吡吗啉以其苯环端从-βCD的窄端进入其空腔,叔丁基进入到β-CD的阔端,而分子中的其它部分位于空腔的窄端外.The inclusion complexation behavior of pyrimorph with β-CD was investigated quantitatively by UV measurement. The results show that they can form 1：1 inclusion complex and the formation constant reduce with elevation of the temperature, indicating that inclusion reaction is exothermic. Thermodynamic parameters of inclusion reaction（ AH, AS, AG） were all negative, which suggested that interaction process between β-CD and pyrimorph was spontaneous driven by enthalpy changes demonstrated that the water-solubility of pyrimorph was greatly of complexation. Phase-solubility experiments enhanced in the presence of β-CD. The results were favored to develop water-based pesticide formulation. In addition, the bioassay testified that inclusion interaction had no obvious effect on fungicidal activity of Pyrimorph. The structure of the inclusion complex was characterized with IR and 2D ROESY spectrum. The results present that the benzyl rings of pyrimorph enter into the cavity of β-CD through the narrow rim and the tertiary butyl is closely to the wider rim, but the other residues of the molecule are not included.

关 键 词：丁吡吗啉 Β-环糊精 包结物 

分 类 号：O621.3[理学—有机化学]