【摘要】 合成了四甘氨酸基磷（Ⅲ）－四苯并三氮杂呵罗的重要前体Ｎ－（３，４－二溴苯基）甘氨酸乙酯和Ｎ－（３，４－二氰基苯基）甘氨酸乙酯，并采用 Ｈｙｐｅｒｃｈｅｍ ５．１，Ｇａｕｓｓｉａｎ ９８等软件以及 ＭＮＤＯ法对拟合成的目标分子四甘氨酸基磷（Ⅲ）－四苯并三氮杂呵罗的结构进行了量子化学计算，发现四甘氨酸基磷（Ⅲ）－四苯并三氮杂呵罗可能存在３种异构体，其中２，２４位取代的异构体因能生成分子内氢键而更加稳定，更加适合用作光敏剂．更多还原

【Abstract】 Phosphorus (Ⅲ) Phthalocyanine is a kind of promising new-type photosentizers in the treatment of neoplasm. The important precursors of tetraglycine phosphorus (Ⅲ) tetrabenzotrizazcorrole, N-(3, 4-dibromophenyl) glycine ethyl ester and N-(3, 4-dicyanophenyl) glycine ethyl ester are firstly synthesized, and the structure characterization of tetra-glycine phosphorus (Ⅲ) tetrabenzotrizazcorrole is investigated by using Hyperchem 5.1, Gaussian 98 programs and MNDO method. It has been found that among the three isomers of quadri-amino acetic acid radical phosphorus (Ⅲ) tetrabenzotrizazcorrole, only the isomers of 2, 24-position displacement are the stable ones and suited to be the good photosentizer for photodynamic therapy because they can form the hydrogen-bond in the molecule.更多还原