N,N,N-triethylbutan-1-aminium nitrate | 24344-66-9

• 分子结构分类: 有机化合物 - 有机氧化合物 - 有机含氧阴离子化合物
• 英文名称: N,N,N-triethylbutan-1-aminium nitrate
• CAS: 24344-66-9
• 化学式: C₁₀H₂₄N*NO₃
• 分子量: 220.312
• InChiKey: SILCJQRJSLSDET-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.42
• 重原子数：
  15.0
• 可旋转键数：
  6.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  66.2
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  1-碘丁烷 、 三乙胺 在 silver nitrate 作用下， 以 甲苯 为溶剂， 生成 N,N,N-triethylbutan-1-aminium nitrate 、 butyltriethylammonium iodide
  参考文献：
  名称：

  Silver (I) activated quaternization of tertiary amines by alkyl iodides: Overall analysis coupling homogeneous and heterogeneous processes

  摘要：

  Kinetic data for the silver (I) activated homogeneous and heterogeneous quaternization of tributylamine by alkyl iodides in toluene is presented. Silver iodide was used as a solid catalyst. Solution and surface parameters were obtained applying the multistep kinetic model, previously proposed by Santos and Barbosa. A scrutiny of the derived quantities evidences competing structural and electronic effects. The solution reaction is dominated by structural factors while electronic effects govern the surface process. An overall analysis considering data from triethylamine systems, earlier investigated, allowed the establishment of a parallelism between the homogeneous and heterogeneous processes. A molecular level study involving size, shape and orientation of the chemical species on the surface, lead to estimates of interfacial layer thicknesses. A combination of surface parameters superficial reacting monolayer thicknesses and, the parallelism between homogeneous and heterogeneous catalysis consented the evaluation of "volumetric surface rate constants" which are directly comparable with their solution counterparts. (C) 2012 Elsevier BM. All rights reserved.

  DOI：

  10.1016/j.molcata.2011.12.031