Theoretical design of tetra(arenediyl)bis(allyl) derivatives as model compounds for Cope rearrangement transition states

Salvatella L.

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Theoretical design of tetra(arenediyl)bis(allyl) derivatives as model compounds for Cope rearrangement transition states

机译：Tetra（Arenyiyl）双（烯丙基）衍生物作为考虑到重排过渡态的模型化合物的理论设计

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Several systems formed by two allyl fragments linked by four arenediyl tethers have been studied through DFT calculations. A delocalised bis(allyl) system, similar to Cope rearrangement transition states, is preferred for derivatives bearing 5-membered ring tethers, as a result of the large strain in the related localised geometry.

机译：通过DFT计算研究了由四个arEniyl系数连接的两个烯丙基片段形成的几个系统。由于相关局部几何形状中的大应变，其临时划分的双（烯丙基）系统是优选的，对于轴承5-元环系数的衍生物，优选载有5元环。

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《RSC Advances》 |2015年第15期|共4页
作者
Salvatella L.;
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Univ Zaragoza ISQCH CSIC Pedro Cerbuna 12 Zaragoza 50009 Spain;

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正文语种 eng
中图分类化学;
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1. Theoretical design of tetra(arenediyl)bis(allyl) derivatives as model compounds for Cope rearrangement transition states [J] . Salvatella L. RSC Advances . 2015,第15期

机译：Tetra（Arenyiyl）双（烯丙基）衍生物作为考虑到重排过渡态的模型化合物的理论设计
2. Irreversible Oxy-2-azonia-Cope Rearrangements for the Synthesis of Functionalized Allyl a-Amino Acid Derivatives [J] . Wenbo Mu, Lijun Zhou, Yue Zou, European journal of organic chemistry . 2014,第11aEP期

机译：不可逆的Oxy-2-azonia-Cope重排用于功能化的烯丙基α-氨基酸衍生物的合成
3. Diastereoselective synthesis of 1-allyl and 1,2-bis(allyl)-1,2-diols: Versatile synthons for substituted tetrahydrofuran derivatives [J] . Kumar S., Chimni SS., Singh P., Synlett . 2001,第9期

机译：1-烯丙基和1,2-双（烯丙基）-1,2-二醇的非对映选择性合成：取代四氢呋喃衍生物的通用合成子
4. Isomerization of Allyl Derivatives of Bisphenol A [C] . LISOVENKO Vladimir A, YUDAEV Pavel A., CHISTYAKOV Evgeniy M. International scientific and practical conference «New Polymer Composite Materials» . 2020

机译：双酚A的烯丙基衍生物的异构化
5. Theoretical and gas-phase studies of the cope rearrangement, the ene reaction and 5-fluorocytosine acidity [D] . Schulze, Suzanne Marie 2002

机译：理论和气相研究应对重整，烯反应和5-氟胞嘧啶酸度
6. Crystal structures of 36-diallyltetracyclo6.3.0.0411.059undeca-27-dione and 17-diallylpentacyclo5.4.0.026. 0310.059undecane-811-dione: allylated caged compounds [O] . Sambasivarao Kotha, Vital Seema, Deepak Deodhar, 2014

机译：36-二烯丙基四环6.3.0.0411.059 undeca-27-二酮和17-二烯丙基五环5.4.0.026的晶体结构。 0310.059十一烷-811-二酮：烯丙基化的笼状化合物
7. Theoretical design of tetra(arenediyl)bis(allyl) derivatives as model compounds for Cope rearrangement transition states [O] . Salvatella, Luis 2015

机译：四（芳烯二基）双（烯丙基）衍生物作为应对Cope重排过渡态的模型化合物的理论设计
8. Theoretical Prediction of the Heats of Formation, Densities and Relative Sensitivities, and/or Synthetic Approaches Toward the Synthesis of High Energy Dense Materials (HEDMs): 3,5-Dinitro-1,3,5-Oxadiazinane, Bis-Adjacent RDX, Bis-Adjacent HMX, 4,4',6,6'-Tetranitro-1,1'-Bis(N-oxide)-5,5',6,6'-4H,4'H-5,5'-Bisimidazo Oxadiazole, and the Open-Cage Derivative of CL-20. [R] . Byrd, E. F., Sabatini, J. J. 2015

机译：形成热，密度和相对灵敏度的理论预测，和/或合成高能量密集材料（HEDms）的合成方法：3,5-二硝基-1,3,5-恶二唑烷，双相邻RDX，Bis - 相邻的HmX，4,4'，6,6'-四硝基-1,1'-双（N-氧化物）-5,5'，6,6'-4H，4'H-5,5'-双咪唑恶二唑和CL-20的开笼衍生物。

Theoretical design of tetra(arenediyl)bis(allyl) derivatives as model compounds for Cope rearrangement transition states

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