N-methylpipyrrolidinium iodide | 45376-58-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: N-methylpipyrrolidinium iodide
• 英文别名: N-methylpyrrolidine hydroiodide；1-methylpyrrolidine;hydroiodide
• CAS: 45376-58-7
• 化学式: C₅H₁₂N*I
• 分子量: 213.061
• InChiKey: HLMLKXTUXVTQTE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.7
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  4.4
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  indium iodide 、 N-methylpipyrrolidinium iodide 生成
  参考文献：
  名称：

  重金属固态离子导体的趋势：Cu +，Ag +，In +和Tl +传输的比较

  摘要：

  已经研究了Cu +，Ag +，In +和Tl +在卤化物中的迁移率，以加深对快速离子传导中重要因素的理解。许多在比较的化合物是这样的类型的MM'X 4，其中中号是上面列出的monopositive离子之一，中号'为Zn 2+，Cd的2+，或Hg 2+，和X是Br -或I -。这些化合物的特征是在高温下转变为无序相，其中M离子具有很高的流动性。离子迁移的跃迁温度，电导率和活化能的趋势表明，In +和Tl +的流动性低于Cu +和Ag +。已经在-160℃下确定了Tl 2 ZnI 4的低温相的晶体结构。在空间群2个式的单元的材料结晶Ç 2 2 - P 2 1的单斜晶系的尺寸的小区一个= 7.661（9）埃，b = 7.971（8）埃，c ^ = 10.074（13）A， β= 118.39（4）°。锌2+离子通过四面体协调我-离子。发现Tl +离子驻留在近似于C 2 v封顶的三角棱镜的七个坐标位置中。Tl

  DOI：

  10.1016/0022-4596(79)90197-x
• 作为产物：
  描述：

  1-methyl-1-<2-(4-p-nitrophenyl)ethyl>pyrrolidinium iodide 在 氢氧化钾 作用下， 以 水 为溶剂， 生成 4-硝基苯乙烯 、 N-methylpipyrrolidinium iodide
  参考文献：
  名称：

  Study on the Effect of the Structure of the Leaving Group in the E1cb Mechanism of Base-Promoted .beta.-Elimination Reactions from N-[2-(p-Nitrophenyl)ethyl]alkylammonium Ions

  摘要：

  Studies of acid-base catalysis, H/D exchange, and solvent isotope effect on the P-elimination reactions with formation of p-nitrostyrene in acetohydroxamate/acetohydroxamic acid buffers at pH 9.05, H2O, mu = 1 M KCl, 25 degrees C, from N-[2-(p-nitrophenyl)ethyl]alkylammonium ions with different leaving groups, such as N-methylpyrrolidine 1,N-ethylpyrrolidine 2,N-isopropylpyrrolidine 3, N-methylpiperidine 4,N-isopropylpiperidine 5, and N-methylazepane 6, show a change from a partially reversible E1cb mechanism with 1, 2, and 4 to an irreversible E1cb mechanism with 3, 5, and 6. The change in the rate-determining step is related to the increased steric requirement of the leaving group. A steric acceleration from the carbanion intermediate to product step is proposed.

  DOI：

  10.1021/jo00131a011

文献信息

• WALKER, DONALD G.;BRODFUEHRER, PAUL R.;BRUNDIDGE, STEVEN P.;SHIH, KUN MAO+, J. ORG. CHEM., 53,(1988) N 5, 983-991
  作者：WALKER, DONALD G.、BRODFUEHRER, PAUL R.、BRUNDIDGE, STEVEN P.、SHIH, KUN MAO+

  DOI：——

  日期：——
• Study on the Effect of the Structure of the Leaving Group in the E1cb Mechanism of Base-Promoted .beta.-Elimination Reactions from N-[2-(p-Nitrophenyl)ethyl]alkylammonium Ions
  作者：S. Alunni、P. Tijskens

  DOI：10.1021/jo00131a011

  日期：1995.12

  Studies of acid-base catalysis, H/D exchange, and solvent isotope effect on the P-elimination reactions with formation of p-nitrostyrene in acetohydroxamate/acetohydroxamic acid buffers at pH 9.05, H2O, mu = 1 M KCl, 25 degrees C, from N-[2-(p-nitrophenyl)ethyl]alkylammonium ions with different leaving groups, such as N-methylpyrrolidine 1,N-ethylpyrrolidine 2,N-isopropylpyrrolidine 3, N-methylpiperidine 4,N-isopropylpiperidine 5, and N-methylazepane 6, show a change from a partially reversible E1cb mechanism with 1, 2, and 4 to an irreversible E1cb mechanism with 3, 5, and 6. The change in the rate-determining step is related to the increased steric requirement of the leaving group. A steric acceleration from the carbanion intermediate to product step is proposed.
• Trends in heavy-metal solid state ionic conductors: A comparison of Cu+, Ag+, In+, and Tl+ transport
  作者：R.L. Ammlung、Raymond P. Scaringe、James A. Ibers、D.F. Shriver、D.H. Whitmore

  DOI：10.1016/0022-4596(79)90197-x

  日期：1979.9

  The mobility of Cu+, Ag+, In+, and Tl+ in halide compounds has been investigated to develop an understanding of the factors which are important in fast ion conduction. Many of the compounds in the comparison are of the type MM′X4, where M is one of the monopositive ions listed above, M′ is Zn2+, Cd2+, or Hg2+, and X is Br− or I−. These compounds are characterized by transitions at elevated temperatures

  已经研究了Cu +，Ag +，In +和Tl +在卤化物中的迁移率，以加深对快速离子传导中重要因素的理解。许多在比较的化合物是这样的类型的MM'X 4，其中中号是上面列出的monopositive离子之一，中号'为Zn 2+，Cd的2+，或Hg 2+，和X是Br -或I -。这些化合物的特征是在高温下转变为无序相，其中M离子具有很高的流动性。离子迁移的跃迁温度，电导率和活化能的趋势表明，In +和Tl +的流动性低于Cu +和Ag +。已经在-160℃下确定了Tl 2 ZnI 4的低温相的晶体结构。在空间群2个式的单元的材料结晶Ç 2 2 - P 2 1的单斜晶系的尺寸的小区一个= 7.661（9）埃，b = 7.971（8）埃，c ^ = 10.074（13）A， β= 118.39（4）°。锌2+离子通过四面体协调我-离子。发现Tl +离子驻留在近似于C 2 v封顶的三角棱镜的七个坐标位置中。Tl