deuterio-2-ethylhexane | 1354702-58-1

• 分子结构分类: 有机化合物 - 碳氢化合物 - 饱和烃
• 英文名称: deuterio-2-ethylhexane
• 英文别名: 3-(Deuteriomethyl)heptane
• CAS: 1354702-58-1
• 化学式: C₈H₁₈
• 分子量: 115.223
• InChiKey: LAIUFBWHERIJIH-WFVSFCRTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.22
• 重原子数：
  8.0
• 可旋转键数：
  5.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  1-diethylalumina-2-ethylhexane 在 重水 、 氘代盐酸 作用下， 生成 deuterio-2-ethylhexane
  参考文献：
  名称：

  On study of chemoselectivity of reaction of trialkylalanes with alkenes, catalyzed with Zr π-complexes

  摘要：

  The influence of the organoaluminium compound nature, Zr p-ligand environment, solvent type and reagent ratio on the chemoselectivity of reactions of trialkylalanes (AlMe3, AlEt3) with alkenes, catalyzed with L2ZrCl2 [L = Cp, Cp' (Cp'-eta(5)-C5H4CH3), Cp* (Cp*-eta(5)-C-5(CH3)(5)), Ind (indenyl), Flu (fluorenyl)] has been studied. It is shown that in the case of AlMe3, the hydro-and carboalumination products, and alkene dimers are formed. The catalytic reaction of AlEt3 with the olefins yields aluminacyclopentanes altogether with the hydro-and carboalumination products, and the dimers. A probable reaction mechanism has been proposed. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2009.07.037

文献信息

• Diastereoselective synthesis of functionally substituted alkene dimers and oligomers, catalysed by chiral zirconocenes
  作者：Pavel V. Kovyazin、Il'giz N. Abdullin、Lyudmila V. Parfenova

  DOI：10.1016/j.catcom.2018.10.032

  日期：2019.1

  The research addresses the reaction of terminal alkenes and propene with AlR3 (R = Me, Et) in the presence of chiral Zr complexes, rac-[Y(η5-C9H10)2]ZrCl2 (Y = C2H4, SiMe2) or (NMI)2ZrCl2 (NMI- η5–neomenthylindenyl), and methylaluminoxane. The effect of reaction conditions, catalyst and trialkylalane structure on the substrate conversion and the reaction chemo- and stereoselectivity has been studied

  研究地址末端烯烃的反应和丙烯与为AlR 3中的手性锆复合物，的存在下（R =甲基，乙基）外消旋- [Y（η 5 -C 9 ħ 10）2 ]的ZrCl 2（Y = C 2 ħ 4，森达2）或（NMI）2的ZrCl 2（NMI- η 5–neomenthylindenyl）和甲基铝氧烷。研究了反应条件，催化剂和三烷基铝烷结构对底物转化率以及反应化学和立体选择性的影响。该反应主要经历烯烃甲基（乙基）锆化的阶段，随后将底物分子引入Zr-C键中。结果，开发了用于合成官能取代的线性末端烯烃二聚体和丙烯低聚物的非对映选择性一锅法。
• Unusual pathway of the tantalum-catalyzed carboalumination reaction of alkenes with triethylaluminum
  作者：Rifkat M. Sultanov、Elena V. Samoilova、Natal’ya R. Popod’ko、Artur R. Tulyabaev、Denis Sh. Sabirov、Usein M. Dzhemilev

  DOI：10.1016/j.tetlet.2013.09.121

  日期：2013.11

  TaCl5 results in a mixture of 2-(R-substituted)- and 3-(R-substituted)-n-butylaluminums (1:1 ratio) in total yields of 75–85%. The TaCl5-catalyzed reaction of bicyclo[2.2.1]hept-2-ene, endo-tricyclo[5.2.1.02,6]deca-3,8-diene, and (exo/endo)-5-methylbicyclo[2.1.1]hept-2-ene with Et3Al leads to the formation of diethyl[2-exo-(2′-norbornylethyl)]aluminums in high yields. DFT calculations confirm the thermodynamic

  的1-烯烃（1-己烯，1-辛烯，1-癸烯）用Et碳铝化3的Al在催化量的TACL的存在5次中的2-混合物的结果（[R和3-（ -取代的）- [R -取代的）-正丁基铝（1：1比例），总产率为75-85％。TACl 5催化的双环[2.2.1]庚-2-烯，内-三环[5.2.1.0 2,6 ] deca-3,8-二烯和（外/内）-5-甲基双环[2.1]的反应.1]庚-2-烯与Et 3 Al导致形成二乙基[2- exo]-（2'-降冰片基乙基）]铝的产率很高。DFT计算证实了最终exo产品的热力学偏好。还讨论了通过钽-环戊烷作为关键中间体形成有机铝的多步反应机理。