新型氮正离子的分子内环合反应研究  

Study on Novel N^+ Cation for Intramolecular Cyclisation

作　　者：司玉昌[1] 朱辉[1] 张力[1] 张秋燕[1] 郭洪声[1] 

机构地区：[1]武警医学院基础部化学教研室,天津300162

出　　处：《南开大学学报（自然科学版）》2007年第2期6-9,共4页Acta Scientiarum Naturalium Universitatis Nankaiensis

基　　金：武警总部课题(WKH2004-2;WY2006-06)

摘　　要：设计合成了一类新型氮正离子,其中的氰基及双键的存在使其稳定,经过 Gaussian 98程序用半经验AM1方法计算得到四种化合物的稳定构象,核磁共振谱图证实了合成化合物结构的正确性.设计的新型氮正离子可进行分子内的亲电取代反应.该类氮正离子可用于合成雌激素受体调节剂的新型母核结构,从而为新型雌激素受体调节剂的设计合成奠定了实验基础.A kind of novel stable N^＋ cation for intramolecular cyclization was designed, which was stabilized by the C=C bond and CN group. Four stable conformation were obtained by Gaussian 98 calculation at the semi-empirical level of theory, and the structures of intramolecular products were verified by NMR. The designed N＋ cation can be used for electrophilic intramolecular substitution reaction. The N^＋ cation can also be used to synthesize new nulei structure of Selective Estrogen Receptor Modulators, which provided the foundation for the design and synthesis of Selective Estrogen Receptor Modulators.

关 键 词：新型氮正离子 GAUSSIAN 98程序 分子内环合反应 

分 类 号：O621.256.9[理学—有机化学]