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Origin of Exo/Endo Selectivity in the Intramolecular Diels-Alder Reaction

文献类型：期刊论文

作者Yan, Shihai1,2; Ryu, Do Hyun1; Lee, Jin Yong1
刊名BULLETIN OF THE KOREAN CHEMICAL SOCIETY
出版日期2010-09-20
卷号31期号:9页码:2527-2530
关键词Intramolecular Diels-Alder reaction DFT Selectivity Orbital interaction Steric repulsion
中文摘要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.
英文摘要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.
WOS标题词Science & Technology ; Physical Sciences
学科主题仿真与模拟
类目[WOS]Chemistry, Multidisciplinary
研究领域[WOS]Chemistry
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记录号WOS:000283953600017
公开日期2011-09-09
源URL[http://ir.qibebt.ac.cn//handle/337004/596]  
专题青岛生物能源与过程研究所_仿真模拟团队
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.

入库方式： OAI收割

来源：青岛生物能源与过程研究所

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