新型酞菁光敏剂前体的合成及其性质的研究  

Study on the Synthesis and Properties of Precursors of New-type Phthalocyanine Photosentizers

作　　者：薛颖[1] 佘远斌[1] 唐应武[2] 宋争林[2] 郭浩波[2] 

机构地区：[1]北京工业大学环境与能源工程学院,北京100022 [2]清华大学化学系,北京100084

出　　处：《北京工业大学学报》2000年第z1期55-59,共5页Journal of Beijing University of Technology

基　　金：国家863基金资助项目

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．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.

关 键 词：N-(3 4-二溴苯基)甘氨酸乙酯  N-(3 4-二氰基苯基)甘氨酸乙酯  合成  四甘氨酸基磷(III)-四苯并三氮杂呵罗  MNDO法  结构计算 

分 类 号：O643.36[理学]