(E)-1,3,3,3-tetradeuterio-1-[(E)-1,3,3,3-tetradeuterioprop-1-enoxy]prop-1-ene | 1174496-31-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (E)-1,3,3,3-tetradeuterio-1-[(E)-1,3,3,3-tetradeuterioprop-1-enoxy]prop-1-ene
• CAS: 1174496-31-1
• 化学式: C₆H₁₀O
• 分子量: 106.081
• InChiKey: ZKJNETINGMOHJG-WWQCUOIWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  7
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  烯丙基醚 在 2,6-二甲基吡啶 、 C₂₁H₃₅N₃PRu*F₆P^(1-) 、 重水 作用下， 以 氘代丙酮 为溶剂， 反应 72.0h， 生成 (E)-1,3,3,3-tetradeuterio-1-[(E)-1,3,3,3-tetradeuterioprop-1-enoxy]prop-1-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

• Mild and Selective Deuteration and Isomerization of Alkenes by a Bifunctional Catalyst and Deuterium Oxide
  作者：Gülin Erdogan、Douglas B. Grotjahn

  DOI：10.1021/ja903519a

  日期：2009.8.5

  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.