1,1,1,3,3,3-Hexadeuterio-2-deuteriooxy-2-methylpropane | 1236028-99-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,1,1,3,3,3-Hexadeuterio-2-deuteriooxy-2-methylpropane
• 英文别名: 1,1,1,3,3,3-hexadeuterio-2-deuteriooxy-2-methylpropane
• CAS: 1236028-99-1
• 化学式: C₄H₁₀O
• 分子量: 81.0672
• InChiKey: DKGAVHZHDRPRBM-TXVPSQRDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  5
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  氘代丙酮 、 碘甲烷 在 碘 、 magnesium 、 氯化铵-d4 作用下， 以 乙醚 为溶剂， 生成 1,1,1,3,3,3-Hexadeuterio-2-deuteriooxy-2-methylpropane
  参考文献：
  名称：

  Parallel NMR Based on Solution Magnetic-Susceptibility Differences. Application to Isotopic Effects on Self-Diffusion

  摘要：

  Different susceptibility NMR line shifts can be induced in distinct liquid solutions by dissolving different concentrations of complexes of paramagnetic lanthanide Ln(3+) ions. We show how these solutions, put in capillaries, can be simultaneously studied with a standard high-resolution spectrometer. After theoretical justification the method is illustrated by an investigation of the effects or H/D substitution on self-diffusion in heavy water. Non-Stokesian effects are observed.

  DOI：

  10.1021/je901031b

文献信息

• Parallel NMR Based on Solution Magnetic-Susceptibility Differences. Application to Isotopic Effects on Self-Diffusion
  作者：Pascal H. Fries、Daniel Imbert

  DOI：10.1021/je901031b

  日期：2010.5.13

  Different susceptibility NMR line shifts can be induced in distinct liquid solutions by dissolving different concentrations of complexes of paramagnetic lanthanide Ln(3+) ions. We show how these solutions, put in capillaries, can be simultaneously studied with a standard high-resolution spectrometer. After theoretical justification the method is illustrated by an investigation of the effects or H/D substitution on self-diffusion in heavy water. Non-Stokesian effects are observed.