本科毕业论文_氨基哒嗪的合成.doc

本科毕业论文（设计） 题目：氨基哒嗪的合成 氨基哒嗪的合成 摘要 近几十年来发现哒嗪及其衍生物具有抗菌、除草、杀虫、杀螨等多种生物活性，哒嗪化学得到快速的发展。随着含有哒嗪环的新化合物不断出现，人们对其结构与活性的研究也日益深入，逐渐发现含哒嗪环的化合物与活性关系上有一定的规律。本文的目标产物氨基哒嗪可作为良好的中间体来合成具有更好生物活性的哒嗪衍生物，对未来医药类发展具有不可小觑的作用。 随着研究的继续，微波合成及相催化转移法已慢慢的取代经典合成法。采用微波辐射法，大大促进了反应进行，在缩减反应时间的同时提高了反应效率和产率，微波辐射的能量消耗低，反应均匀。此前大部分文献采用高压合成，条件及操作要求严格，反应耗时较长。微波辅助合成中，水作为假性有机溶剂，辐射加热产生水蒸气，在容器内形成一定的压力，也实现了高压反应的目的。而相转移催化法与经典法相比,反应条件温和、反应时间短、产品易分离、收率高,是合成部分哒嗪系列化合物的一种简捷方法。 本文以水合肼和马来酰肼为起始原料，经缩合、氯化、氨化反应来合成3-氨基-6-氯哒嗪，并对目标产物反应的主要影响因素进行了考察，探讨相转移催化的方法合成氨基哒嗪的可能性，并对产物采用了红外光谱表征。 采用量子化学计算的方法来获得了3，6-二氯达嗪和2-羰基-3，4-二氯哒嗪酮的八大量化参数：电荷、轨道能级、轨道电子密度、超离域度、原子极化率、分子极化率、偶极距和极性以及能量。由结果得出3，6-二氯达嗪较2-羰基-3，4-二氯达嗪酮碳原子正电性高，前线轨道能量差小，反应活性比强，容易反应，充分的解释了3，6-二氯达嗪可以很好的进行氨化，而2-羰基-3，4-二氯达嗪酮无法氨化的现象。 关键词：哒嗪；合成；量化计算；相转移  Abstract During recent years, it’s found that pyridazine derivatives show many bioactive, like bactericidal, herbicide, insecticidal, acaricidal and so on, and pyridazine chemical gets rapid development.As new compounds containing pyridazine rings appear constantly, for its structure and activity research also increasingly deeper, gradually found pyridazine ring compounds and active relationship has a certain regularity. Amino pyridazine product goal of this article can be used as good intermediates for synthesis of pyridazine derivatives has better biological activity, for developing future medicine has to be reckoned with. As research continues, microwave synthesis and phase transfer catalytic method has been gradually replaced the classical synthetic method. Using microwave radiation method, greatly promote the reaction, the reduced reaction time and improve the reaction efficiency and yield, low energy consumption of microwave radiation, the reaction even. After most of the literature using high-pressure synthesis, condition and operation requirement strictly, reaction time is longer than the other. Microwave assisted synthesis in organic solvent, water as spurious radiation heat