| Origin of Exo/Endo Selectivity in the Intramolecular Diels-Alder Reaction | |
| Yan, Shihai1,2; Ryu, Do Hyun1; Lee, Jin Yong1 | |
| 2010-09-20 | |
| 发表期刊 | BULLETIN OF THE KOREAN CHEMICAL SOCIETY
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| 卷号 | 31期号:9页码:2527-2530 |
| 摘要 | The stereoselectivity of the intramolecular Diels-Alder reactions of 1 and its derivatives were investigated by ab initio calculations. The stereoselectivity mainly originates from the steric repulsion and the orbital interactions. The additional s-cis and s-trans conformations by introducing the carbonyl group at the neighbor of diene or dienophile may change the stereoselectivity, hence this kind of substitution can be utilized for stereoselectivive asymmetric synthesis.; The stereoselectivity of the intramolecular Diels-Alder reactions of 1 and its derivatives were investigated by ab initio calculations. The stereoselectivity mainly originates from the steric repulsion and the orbital interactions. The additional s-cis and s-trans conformations by introducing the carbonyl group at the neighbor of diene or dienophile may change the stereoselectivity, hence this kind of substitution can be utilized for stereoselectivive asymmetric synthesis. |
| 文章类型 | Article |
| 关键词 | Intramolecular Diels-alder Reaction Dft Selectivity Orbital Interaction Steric Repulsion |
| 学科领域 | 仿真与模拟 |
| WOS标题词 | Science & Technology ; Physical Sciences |
| DOI | 10.5012/bkcs.2010.31.9.2527 |
| 关键词[WOS] | DENSITY-FUNCTIONAL THEORY ; TRANSITION STRUCTURES ; ENDO/EXO SELECTIVITY ; PERICYCLIC-REACTIONS ; STEREOSELECTIVITY ; BUTADIENE ; ACROLEIN ; 1,3,8-NONATRIENES ; 1,3-DIENES ; ACRYLATES |
| 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:000283953600017 |
| 引用统计 | |
| 文献类型 | 期刊论文 |
| 条目标识符 | http://ir.qibebt.ac.cn/handle/337004/596 |
| 专题 | 蛋白质设计研究组 |
| 作者单位 | 1.Sungkyunkwan Univ, Dept Chem, Suwon 440746, South Korea 2.Chinese Acad Sci, Qingdao Inst Bioenergy & Bioproc Technol, Qingdao 266101, Peoples R China |
| 推荐引用方式 GB/T 7714 | Yan, Shihai,Ryu, Do Hyun,Lee, Jin Yong. Origin of Exo/Endo Selectivity in the Intramolecular Diels-Alder Reaction[J]. BULLETIN OF THE KOREAN CHEMICAL SOCIETY,2010,31(9):2527-2530. |
| APA | Yan, Shihai,Ryu, Do Hyun,&Lee, Jin Yong.(2010).Origin of Exo/Endo Selectivity in the Intramolecular Diels-Alder Reaction.BULLETIN OF THE KOREAN CHEMICAL SOCIETY,31(9),2527-2530. |
| MLA | Yan, Shihai,et al."Origin of Exo/Endo Selectivity in the Intramolecular Diels-Alder Reaction".BULLETIN OF THE KOREAN CHEMICAL SOCIETY 31.9(2010):2527-2530. |
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