(E)-1,1,1,2,3,4,4,5,5,5-decadeuterio-pent-2-ene | 97797-59-6

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 英文名称: (E)-1,1,1,2,3,4,4,5,5,5-decadeuterio-pent-2-ene
• 英文别名: trans-Penten-2-d(10)；(E)-1,1,1,2,3,4,4,5,5,5-decadeuteriopent-2-ene
• CAS: 97797-59-6
• 化学式: C₅H₁₀
• 分子量: 80.055
• InChiKey: QMMOXUPEWRXHJS-BXVOGOKUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  5
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 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：

  戊烯 在 C₂₁H₃₅N₃PRu*F₆P^(1-) 、 重水 作用下， 以 氘代丙酮 为溶剂， 反应 24.0h， 生成 (E)-1,1,1,2,3,4,4,5,5,5-decadeuterio-pent-2-ene
  参考文献：
  名称：

  Mild and Selective Deuteration and Isomerization of Alkenes by a Bifunctional Catalyst and Deuterium Oxide

  摘要：

  H/D exchange is achieved at allylic positions of alkenes using D2O in acetone and alkene isomerization catalyst 1, which features a bifunctional imidazolylphosphine. The basic nitrogen of the latter is thought to deprotonate an alkene substrate coordinated to the CpRu center; at this stage the protonated nitrogen could undergo H/D exchange with deuterium oxide. An exceptional degree of deuteration is achieved at positions accessible to isomerization, with a high degree of control. Using biphasic settings one can literally wash out reactive protons on the substrate without using organic solvents.

  DOI：

  10.1021/ja903519a

文献信息

• BIFUNCTIONAL CATALYSTS FOR EXTENSIVE ISOMERIZATION OF UNSATURATED HYDROCARBONS
  申请人：Grotjahn Douglas

  公开号：US20090143585A1

  公开（公告）日：2009-06-04

  The current invention provides novel bifunctional catalysts. The bifunctional catalysts are prepared from phosphine ligands and a cyclopentadienyl metal complex and are useful for forming isomers of hydrocarbon species. The hydrocarbon can be an alkenol having the alkene and alcohol groups far apart and the catalyst will move the double bond across numerous carbon atoms. The hydrocarbon can also be an achiral alkenol and the catalyst will form a chiral alcohol therefrom. Moreover, deuterated water may be added to the isomerization reaction mixture for forming deuterated hydrocarbon species.

  本发明提供了新型的双功能催化剂。这些双功能催化剂由膦配体和环戊二烯基金属配合物制备而成，可用于形成烃种类的异构体。烃可以是烯醇，其烯烃和羟基远离，催化剂将使双键移动到许多碳原子上。烃也可以是非手性烯醇，催化剂将形成手性醇。此外，可以向异构化反应混合物中添加氘化水以形成氘代烃种类。
• WERSTIUK, N. H.;TIMMINS, G., CAN. J. CHEM., 1985, 63, N 2, 530-533
  作者：WERSTIUK, N. H.、TIMMINS, G.

  DOI：——

  日期：——