超分子化学是分子间通过非共价键相互作用缔合而成的，具有特定结构和功能的分子聚集体的化学。研究发现，通过向大环中引入芳杂环，能够使大环化合物的结构和性能发生巨大的改变，这也成为新型大环化合物设计与合成的重要策略。本论文研究目标是将目前较少应用于超分子体系的四嗪环引入大环主体化合物中，结合不同含氮芳杂环，进行大环化合物的构建，预期获得一系列新型含四嗪大环主体分子，并将探讨其独特的空腔结构，分子识别，以及自组装体系的结构和功能。通过查阅文献，设计了三种四嗪大环化合物的合成路线；在尝试上述合成路线的基础上，成功合成部分前体化合物，包括： 3,6-Di-p-tolyl-[1,2,4,5]tetrazine,5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyrimidine-2-carbonitrile, 以及三种未见报道的新型含四嗪三聚体：3,3'-(1,2,4,5-tetrazine-3,6-diyl)dibenzoic acid,3,6-Bis-(5-bromo-pyrimidin-2-yl)-[1,2,4,5]tetrazine,3,6-Bis-(5-bromo-pyridin-2-yl)-[1,2,4,5]tetrazine, 本论文通过实验得到了由含氰基芳香族化合物合成四嗪三聚体的实验方法，为合成四嗪大环化合物积累了反应方法。

Supramolecular chemistry is the study of molecular aggregates with ordered structures and specific functions, which are formed via weak intermolecular interactions. Studies found that introduction of heterocyclic aromatic ring to macrocyclic compounds could make significant change to the structure and properties. This has become an important strategy to design and synthesis novel macrocyclic compounds. Tetrazines, which are still not so widely used in supramolecular system, have been introduced into macrocyclic host compound in order to obtain novel macrocyclic compounds in the target of this research. We expected to obtain a series of novel macrocyclic compounds containing tetrazine, and explores their unique cavity structure, molecular recognition, and the structure and function of self-assembly system. By reviewing literature, synthesis routes of three novel macrocyclic compounds containing tetrazine have been designed . On the basis of experiments in the synthetic routes, we successfully synthesized several precursor compounds, including: 3,6-Di-p-tolyl-[1,2,4,5]tetrazine, 5-(4,4,5,5-tetramethyl- [1,3,2]dioxaborolan-2-yl)-pyrimidine-2-carbonitrile, as well as three new tetrazine trimers including: 3,3'-(1,2,4,5-tetrazine-3,6-diyl)dibenzoic acid, 3,6-Bis-(5-bromo-pyridin-2-yl)- [1,2,4,5]tetrazine, 3,6-Bis-(5-bromo-pyrimidin-2-yl)-[1,2,4,5]tetrazine, Through experiments, this paper obtained synthesis experimental methods about how to use cyano-containing aromatic compounds to synthesize tetrazine trimers, and it will make contribution to develop the strategy of novel macrocyclic compounds containing tetrazine.