Theoretical study of the regioselectivity of the Huisgen reaction
文献类型：期刊论文
| 作者 | Chen, Gang1,2; Yang, Jing1 ; Gao, Suo1; Zhang, Yu1; Hao, Xiao-jiang1
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| 刊名 | RESEARCH ON CHEMICAL INTERMEDIATES
 |
| 出版日期 | 2013-03-01 |
| 卷号 | 39期号:3页码:1245-1250 |
| 关键词 | Huisgen reaction Regioselectivity Regioisomer pi-pi Stacking Theoretical study |
| ISSN号 | 0922-6168 |
| 通讯作者 | Yang, J (reprint author), Chinese Acad Sci, Kunming Inst Bot, State Key Lab Phytochem & Plant Resources West Ch, Kunming 650201, Peoples R China. ; haoxj@mail.kib.ac.cn |
| 英文摘要 | 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. |
| WOS标题词 | Science & Technology ; Physical Sciences |
| 学科主题 | Chemistry |
| 类目[WOS] | Chemistry, Multidisciplinary |
| 研究领域[WOS] | Chemistry |
| 关键词[WOS] | 1,3-DIPOLAR |
| 收录类别 | SCI |
| 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] |
| 语种 | 英语 |
| WOS记录号 | WOS:000316008300035 |
| 公开日期 | 2013-06-08 |
| 源URL | [http://ir.kib.ac.cn/handle/151853/16419]  |
| 专题 | 昆明植物研究所_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 |
| 推荐引用方式 GB/T 7714 | 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. |
入库方式： OAI收割
来源：昆明植物研究所
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