trimethyl-(1,2,2-trimethyl-propyl)-ammonium; iodide | 26153-95-7

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: trimethyl-(1,2,2-trimethyl-propyl)-ammonium; iodide
• 英文别名: Trimethyl-(1,2,2-trimethyl-propyl)-ammonium; Jodid；Trimethyl-<1,2,2-trimethyl-propyl>-ammoniumjodid
• CAS: 26153-95-7
• 化学式: C₉H₂₂N*I
• 分子量: 271.185
• InChiKey: RWHFIOBNBAIPSA-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.87
• 重原子数：
  11.0
• 可旋转键数：
  1.0
• 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：

  trimethyl-(1,2,2-trimethyl-propyl)-ammonium; iodide 在 hexafluorophosphoric acid 作用下， 以 甲醇 、 水 为溶剂， 生成 [t-Bu(Me)CHNMe3]PF6
  参考文献：
  名称：

  Chiral Conducting Salts of Nickel Dithiolene Complexes

  摘要：

  Conducting and chiral [Ni(dmit)(2)] dithiolene salts were obtained by electrocrystallization of the radical [n-Bu4N][Ni(dmit)(2)] salt in the presence of chiral, enantiopure trimethylammonium cations. Three different cations were investigated, namely, (R)-Ph(Me)HC*-NMe3+, (S)-(Bu-t)(Me)HC*-NMe3+, and (S)-(1-Napht)MeHC*-NMe3+, noted (R)4, (S)-2, and (S)-3. Salts of 1:3 stoichiometry were obtained with (R)-1 and (S)-2, formulated as [(R)-1][Ni(dmit)(2)](3) and [(S)-2][Ni(dmit)(2)](3)center dot(CH3CN)(2). They both crystallize in the P2(1)2(1)2(1) chiral space group, with three crystallographically independent complexes exhibiting different oxidation degrees. Another salt with 2:5 stoichiometry was isolated with (S)-3. The semiconducting character of the three salts (sigma(RT) = 20-30 X 10(-3) S cm(-1)) finds its origin in a strong electron localization, favored by the large number of crystallographically independent [Ni(dmit)2] complexes in these chiral structures and their association into weakly interacting dimeric or trimeric motifs. Racemic salts with the same cations, obtained only with difficulties with the tert-butyl-containing (rac)-2 cation, afforded similar trimerized structures. The observed unusual stoichiometry and strong charge localization is tentatively assigned to the size and anisotropic charge distribution of the cations.

  DOI：

  10.1021/ic300146s
• 作为产物：
  描述：

  2-十二烷基-2-甲基丙二酸 、 碘甲烷 在 碳酸氢钠 作用下， 以 甲醇 为溶剂， 生成 trimethyl-(1,2,2-trimethyl-propyl)-ammonium; iodide
  参考文献：
  名称：

  Chiral Conducting Salts of Nickel Dithiolene Complexes

  摘要：

  Conducting and chiral [Ni(dmit)(2)] dithiolene salts were obtained by electrocrystallization of the radical [n-Bu4N][Ni(dmit)(2)] salt in the presence of chiral, enantiopure trimethylammonium cations. Three different cations were investigated, namely, (R)-Ph(Me)HC*-NMe3+, (S)-(Bu-t)(Me)HC*-NMe3+, and (S)-(1-Napht)MeHC*-NMe3+, noted (R)4, (S)-2, and (S)-3. Salts of 1:3 stoichiometry were obtained with (R)-1 and (S)-2, formulated as [(R)-1][Ni(dmit)(2)](3) and [(S)-2][Ni(dmit)(2)](3)center dot(CH3CN)(2). They both crystallize in the P2(1)2(1)2(1) chiral space group, with three crystallographically independent complexes exhibiting different oxidation degrees. Another salt with 2:5 stoichiometry was isolated with (S)-3. The semiconducting character of the three salts (sigma(RT) = 20-30 X 10(-3) S cm(-1)) finds its origin in a strong electron localization, favored by the large number of crystallographically independent [Ni(dmit)2] complexes in these chiral structures and their association into weakly interacting dimeric or trimeric motifs. Racemic salts with the same cations, obtained only with difficulties with the tert-butyl-containing (rac)-2 cation, afforded similar trimerized structures. The observed unusual stoichiometry and strong charge localization is tentatively assigned to the size and anisotropic charge distribution of the cations.

  DOI：

  10.1021/ic300146s

文献信息

• Stevens; Richmond, Journal of the American Chemical Society, 1941, vol. 63, p. 3135
  作者：Stevens、Richmond

  DOI：——

  日期：——
• Banthorpe,D.V. et al., Journal of the Chemical Society, 1960, p. 4054 - 4087
  作者：Banthorpe,D.V. et al.

  DOI：——

  日期：——