1-[4-deutero-2-(deuteromethyl)butyl]benzene | 133124-42-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-[4-deutero-2-(deuteromethyl)butyl]benzene
• 英文别名: 2-Benzyl-1,4-dideuterobutane；[4-deuterio-2-(deuteriomethyl)butyl]benzene
• CAS: 133124-42-2
• 化学式: C₁₁H₁₆
• 分子量: 150.232
• InChiKey: IFDLFCDWOFLKEB-QDNHWIQGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  烯丙苯 、 三乙基铝 在 二氯二茂锆 重水 作用下， 生成 1-[4-deutero-2-(deuteromethyl)butyl]benzene
  参考文献：
  名称：

  Synthesis and transformations of metallocycles 5. Regioselective synthesis of ?-substituted alumocyclopentanes by the cyclometallation of ?-olefins using Et3Al in the presence of Cp2ZrCl2

  摘要：

  A new method has been proposed for the synthesis of N-, O-, and S-containing alumocyclopentanes by the reaction of Et3Al with functional alpha-olefins in the presence of catalytic amounts of Cp2ZrCl2. The alumocyclopentanes obtained may react with S8 to give beta-substituted tetrahydrothiophenes.

  DOI：

  10.1007/bf01184540

文献信息

• Cyclomagnesation of Olefins with Ethylmagnesium Bromide in the Presence of Titanium Complexes
  作者：U. M. Dzhemilev、V. A. D’yakonov、L. O. Khafizova、A. G. Ibragimov

  DOI：10.1007/s11178-005-0169-z

  日期：2005.3

  Cyclomagnesation of terminal and cyclic olefins and 1,2-dienes with RMgHlg and R2Mg in the presence of dichloro(dicyclopentadienyl)titanium(IV) gives non-Grignard cyclic and acyclic organomagnesium compounds. The reaction direction depends on the structure of unsaturated initial compound. The most probable reaction mechanism is discussed.

  在二氯（二环戊二烯基）钛（IV）存在下，末端和环状烯烃及 1,2-二烯与 RMgHlg 和 R2Mg 发生环镁反应，生成非格氏环状和非环状有机镁化合物。反应方向取决于不饱和初始化合物的结构。讨论了最可能的反应机理。
• Zirconium-catalyzed reaction of terminal alkenes with triethylindium
  作者：I. R. Ramazanov、L. K. Dil’mukhametova、U. M. Dzhemilev

  DOI：10.1134/s1070428013090017

  日期：2013.9

  Terminal alkenes (undec-1-ene, oct-1-ene, and allylbenzene) reacted with triethylindium in the presence of a catalytic amount of Cp2ZrCl2 in hexane to give mixtures of three organoindium compounds whose hydrolysis in D2O afforded 2-substituted 1,4-dideuterobutane containing minor amounts of 2-substituted 1- and 4-deuterobutanes.

  在催化量的Cp 2 ZrCl 2在己烷中的存在下，末端烯烃（十一碳烯，十一碳烯和烯丙基苯）与三乙基铟反应，得到三种有机铟化合物的混合物，在D 2 O中水解得到2含有少量2-取代的1-和4-氘代丁二酮的1-取代的1，4-二氟代丁烷丁烷。
• Catalytic enantioselective ethylalumination of terminal alkenes: substrate effects and absolute configuration assignment
  作者：Lyudmila V. Parfenova、Pavel V. Kovyazin、Tatyana V. Tyumkina、Alyona V. Makrushina、Leonard M. Khalilov、Usein M. Dzhemilev

  DOI：10.1016/j.tetasy.2014.11.019

  日期：2015.2

  The chemo- and enantioselectivity of the reaction of alkenes with AlEt3 catalyzed by bis(1-neomenthyl-indenyl)zirconium dichloride has been studied. The reaction with linear alkenes in a chlorinated solvent (CH2Cl2) gives mainly carbometallation products in 70-80% yield and with enantiomeric purity of 47-70%ee with an (S)-configuration. In the case of vinylcycloalkanes and styrene, the reaction provides roughly equal amounts of carbometallation products and substituted alumolanes with enantioselectivities of 39-69%ee and 40-57%ee, respectively.(R)-MTPA and (R)-2-phenylselenopropionic acid [(R)-PSPA] were used as the derivatization reagents for enantiomeric excess estimation and the absolute configuration assignment of beta-chiral primary alcohols and 2-substituted 1,4-butanediols resulting from oxidation and hydrolysis of the organoaluminum products. It was shown that the specific rotation changes sign in the series of enantiomerically enriched 2-ethyl-1-alkanols when going from beta-ethyl-substituted octanol to nonanol. The conformational analysis of the MTPA and PSPA esters of 2-ethyl-1-alkanols was performed and a dependence of their conformational composition on the type of substituent at the beta-stereogenic center was established. Calculation of the Se-77 NMR chemical shifts of the possible conformers of the PSPA esters demonstrated that the conformation of the selenium moiety has the most pronounced effect on the delta(Se) value. The high efficiency of PSPA application for the enantiomeric purity estimation and the absolute configuration assignment of 2-ethyl-1-alkanols is shown. (C) 2014 Elsevier Ltd. All rights reserved.
• DZHEMILEV, U. M.;IBRAGIMOV, A. G.;ZOLOTAREV, A. P.;MUSLUXOV, R. R.;TOLSTI+, IZV. AN CCCP. CEP. XIM.,(1990) N2, S. 2831-2841
  作者：DZHEMILEV, U. M.、IBRAGIMOV, A. G.、ZOLOTAREV, A. P.、MUSLUXOV, R. R.、TOLSTI+

  DOI：——

  日期：——