1,2-Ethanediaminium, N,N'-diethyl-N,N,N',N'-tetramethyl-, dibromide | 13440-14-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1,2-Ethanediaminium, N,N'-diethyl-N,N,N',N'-tetramethyl-, dibromide
• 英文别名: ethylene-bis(dimethylethylammonium bromide)；Ethylen-1,2-bis(dimethylethylammonium)-dibromid；N,N'-diethyl-N,N,N',N'-tetramethyl-1,2-ethylenediammoniumbromide
• CAS: 13440-14-7
• 化学式: 2Br*C₁₀H₂₆N₂
• 分子量: 334.138
• InChiKey: YCIYPDUGKZNUAH-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.82
• 重原子数：
  13.0
• 可旋转键数：
  5.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  thallium(I) bromide 、 溴 、 1,2-Ethanediaminium, N,N'-diethyl-N,N,N',N'-tetramethyl-, dibromide 以 甲醇 为溶剂， 生成 (N,N'-diethyl-N,N,N',N'-tetramethyl-1,2-ethylenediammonium)[TlBr5]
  参考文献：
  名称：

  Structural diversity in thallium chemistry, IV. Further examples of solid state bromothallate(III) derivatives obtained by employing certain classes of alkyl diammonium cations

  摘要：

  Six new bromothallate(III) -containing salts with different alkyl diammonium cations have been prepared from bromide containing solutions and studied by single-crystal X-ray crystallographic analyses. The N,N'-diethyl-N,N,N',N'-tetramethyl-1,2-ethylenediammonium, N-methyl-1,3-propanediammonium, N,N,N',N'-tetramethyl-1,3-propanediammonium and N,N,N',N'-tetraethyl-1,2-ethylenediammonium cations yield complexes (1, 11, III and W, respectively) with the [TlBr5](2-) anionic stoichiometry. For I and U, both complexes contain the [TlBr5](2-) anion. In complex H, this appears as a distorted octahedron with one long Tl...Br2' contact of 3.632(4) Angstrom from an adjacent anion, thus completing the hexacoordination about an otherwise distorted square pyramid. On the other hand, for M and W, both complexes contain a tetrahedral [TlBr4](-) anion together with an isolated, but hydrogen-bonded, Br- anion. The 1,5-hexanediammonium complex (V) contains tetrahedral [TlBr4](-), slightly distorted octahedral [TlBr6](3-) and Br- anions. The asymmetric unit of the N,N-diethyl-1,3-propanediammonium salt (VI) contains one cation and half of each of a [TlBr4](-) and an axially compressed octahedral [TlBr6](3-) anion. Extensive hydrogen-bonded networks exist in complexes H-VI. N-H...Br hydrogen bonds generally have a significant influence on the nature of the anions present in species with the formal [TlBr5] stoichiometry. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(02)00692-8
• 作为产物：
  描述：

  溴乙烷 、 四甲基乙二胺 以 乙酸乙酯 为溶剂， 反应 72.0h， 以87.1%的产率得到2-(dimethylamino)-N-ethyl-N,N-dimethylethan-1-aminium bromide
  参考文献：
  名称：

  两种N-供体功能化离子液体的输运，电化学和热物理性质

  摘要：

  合成了两种N-供体官能化的离子液体（IL），分别是1-乙基-1,4-二甲基哌嗪双（三氟甲基磺酰基）酰胺（1）和1-（2-二甲基氨基乙基）-二甲基乙基铵双（三氟甲基磺酰基）酰胺（2）。并测量其电化学和传输性能。将数据与基准系统N-丁基-N-甲基吡咯烷鎓双（三氟甲基磺酰基）酰胺（3）。在两种叔胺官能化盐和非官能化基准之间观察到热稳定性和电化学稳定性的显着差异。前者的稳定性比缺少叔胺功能的结构稳定剂低170 K，低2V。带有开链阳离子（2）的IL的离子自扩散系数（D i）和摩尔电导率（Λ）高于带有环阳离子（1）的IL ，但小于未官能化阳离子的离子自扩散系数（）和摩尔电导率（Λ），杂环阳离子（3）。粘度（η）表现出相反的行为。瓦尔登[ Λ∝（1 / η）t]和Stokes–Einstein [ D i / T）∝（1 / η）t ]指数t对于这三种盐0.93–0.98（±0.05）非常相似；也就是

  DOI：

  10.1002/chem.201302258