Theoretical study of the regioselectivity of the Huisgen reaction
Chen, Gang1,2; Yang, Jing1; Gao, Suo1; Zhang, Yu1; Hao, Xiao-jiang1
2013-03-01
发表期刊RESEARCH ON CHEMICAL INTERMEDIATES
ISSN0922-6168
卷号39期号:3页码:1245-1250
摘要From the structure of a series of spiro (pyrrolidine-2,3'-oxindole) derivatives synthesized by Huisgen reaction of isatin, alpha-amino acids, and different olefins, different regioselectivities were found. The possible mechanism of the Huisgen reaction of oxindole azomethine ylide and the substituent of olefins was investigated using a B3LYP/6-311G* level of theory, and the results show that the regioselection depends on the energy barrier between the stacking state and the regioisomer. This mechanism can also be applied to the illumination of other Huisgen reactions.
关键词Huisgen Reaction Regioselectivity Regioisomer Pi-pi Stacking Theoretical Study
资助信息Chinese Ministry of Science and Technology [2009CB522303]; Important Science & Technology Specific Projects of Innovative Program of Shaanxi Province [2010ZDKG-46]; Scientific and Technological Plan Projects of Shaanxi Province of China [2012KJXX-40]; Shaanxi Provincial Education Department [12JK0582, 12JK0589]
学科领域Chemistry
收录类别SCI
语种英语
WOS研究方向Chemistry
WOS类目Chemistry, Multidisciplinary
WOS记录号WOS:000316008300035
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被引频次:9[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.kib.ac.cn/handle/151853/16419
专题植物化学与西部植物资源持续利用国家重点实验室
作者单位1.Chinese Acad Sci, Kunming Inst Bot, State Key Lab Phytochem & Plant Resources West Ch, Kunming 650201, Peoples R China
2.Xian Shiyou Univ, Coll Chem & Chem Engn, Xian 710065, Shaanxi, Peoples R China
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Chen, Gang,Yang, Jing,Gao, Suo,et al. Theoretical study of the regioselectivity of the Huisgen reaction[J]. RESEARCH ON CHEMICAL INTERMEDIATES,2013,39(3):1245-1250.
APA Chen, Gang,Yang, Jing,Gao, Suo,Zhang, Yu,&Hao, Xiao-jiang.(2013).Theoretical study of the regioselectivity of the Huisgen reaction.RESEARCH ON CHEMICAL INTERMEDIATES,39(3),1245-1250.
MLA Chen, Gang,et al."Theoretical study of the regioselectivity of the Huisgen reaction".RESEARCH ON CHEMICAL INTERMEDIATES 39.3(2013):1245-1250.
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