N,N,N-Trimethylnorbornylammonium iodide | 64706-42-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: N,N,N-Trimethylnorbornylammonium iodide
• 英文别名: N,N,N-Trimethylbicyclo[2.2.1]heptan-2-aminium iodide；2-bicyclo[2.2.1]heptanyl(trimethyl)azanium;iodide
• CAS: 64706-42-9
• 化学式: C₁₀H₂₀N*I
• 分子量: 281.18
• InChiKey: UKZJHVQFAJASID-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.11
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  双环[2.2.1]-2-庚胺 、 碘甲烷 在 potassium carbonate 作用下， 以 甲醇 为溶剂， 反应 24.0h， 生成 N,N,N-Trimethylnorbornylammonium iodide
  参考文献：
  名称：

  Solid-State Deuterium NMR Studies of Organic Molecules in the Tectosilicate Nonasil

  摘要：

  Solid-state deuterium NMR spectroscopy is used to study the dynamics of organic molecules occluded in the as-synthesized high-silica tectosilicate nonasil. The nonasil samples are synthesized using trimethylalkylammonium structure-directing agents to determine the role of electrostatic interactions. Size effects are quantified by performing H-2 NMR spin-lattice (T-1) relaxation experiments, and the mobility of the substituent alkyl groups is studied using H-2 MAS NMR. The charge-compensating defect sites are characterized using Si-29 and H-1 NMR. The motion of the trimethylammonium group of the structure-directing agent is a composite motion of methyl group rotations and rotation about the nitrogen C-3 axis in all samples down to 190 K. The H-2 T-1 and H-2 MAS NMR results illustrate the steric confinement the nonasil cage exerts on the larger (C-n greater than or equal to C-5) subsequent alkyl groups. Isotropic motion is not observed for any of the structure-directing agents at 370 K, indicating strong organic-inorganic interactions. This is in sharp contrast to nonasil samples made with electrically neutral amines where rapid isotropic reorientation is observed at room temperature. These results have interesting implications in zeolite synthesis. For aluminosilicates synthesized with charged structure-directing agents, similar organic-inorganic interactions may allow for aluminum preferentially occupying specific framework sites. This could lead to tailoring the distribution of catalytic sites in zeolites based on the charge distribution of the structure-directing agent.

  DOI：

  10.1021/jp9731462

文献信息

• Solid-State Deuterium NMR Studies of Organic Molecules in the Tectosilicate Nonasil
  作者：Daniel F. Shantz、Raul F. Lobo

  DOI：10.1021/jp9731462

  日期：1998.3.1

  Solid-state deuterium NMR spectroscopy is used to study the dynamics of organic molecules occluded in the as-synthesized high-silica tectosilicate nonasil. The nonasil samples are synthesized using trimethylalkylammonium structure-directing agents to determine the role of electrostatic interactions. Size effects are quantified by performing H-2 NMR spin-lattice (T-1) relaxation experiments, and the mobility of the substituent alkyl groups is studied using H-2 MAS NMR. The charge-compensating defect sites are characterized using Si-29 and H-1 NMR. The motion of the trimethylammonium group of the structure-directing agent is a composite motion of methyl group rotations and rotation about the nitrogen C-3 axis in all samples down to 190 K. The H-2 T-1 and H-2 MAS NMR results illustrate the steric confinement the nonasil cage exerts on the larger (C-n greater than or equal to C-5) subsequent alkyl groups. Isotropic motion is not observed for any of the structure-directing agents at 370 K, indicating strong organic-inorganic interactions. This is in sharp contrast to nonasil samples made with electrically neutral amines where rapid isotropic reorientation is observed at room temperature. These results have interesting implications in zeolite synthesis. For aluminosilicates synthesized with charged structure-directing agents, similar organic-inorganic interactions may allow for aluminum preferentially occupying specific framework sites. This could lead to tailoring the distribution of catalytic sites in zeolites based on the charge distribution of the structure-directing agent.