1-methylpiperidinium | 17926-38-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 1-methylpiperidinium
• 英文别名: 1-methyl-piperidinium-cation；1-Methyl-piperidinium；N-Methylpiperidinium；1-Methylpiperidin-1-ium
• CAS: 17926-38-4
• 化学式: C₆H₁₄N
• 分子量: 100.184
• InChiKey: PAMIQIKDUOTOBW-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 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：
  0

反应信息

• 作为反应物：
  描述：

  1-methylpiperidinium 、 zinc(II) chloride 在 盐酸 作用下， 以 水 为溶剂， 反应 504.0h， 生成 [1-methylpiperidinium]₂[ZnCl₄]
  参考文献：
  名称：

  Organic‐Inorganic Hybrid Crystal [1‐methylpiperidinium] ₂ [ZnCl ₄ ] with High T _c Phase Transition and Dielectric Switches

  摘要：

  AbstractThe hybrid switchable materials induced by dielectric phase transition are always an important scientific topic for their potential applications in the flexible sensor and devices. And the organic cations and anions can interact effectively, which is conducive to the functional development in the organic‐inorganic hybrid crystal state. In which, the flexible organic cations are more likely to undergo dynamic motion such as order‐disorder transformation and reorientation under temperature stimulation. Here, we chose 1‐methylpiperidinium as flexible organic cation, and then successfully designed a new organic‐inorganic hybrid crystal [1‐methylpiperidinium]2[ZnCl4] (compound 1), which displays a phase‐transition packing structure. It′s worth pointing out that compound 1 undergoes a reversible phase transition at 393.8 K accompanied with a conspicuous dielectric response. The dielectric constant can switch rapidly and reversibly between high and low dielectric states with excellent cycle stability. We believe that the report of compound 1 is conducive to the design of new series of switching materials.

  DOI：

  10.1002/ejic.202100671
• 作为产物：
  描述：

  N-甲基哌啶 在 铵 作用下， 以 gas 为溶剂， 生成 1-methylpiperidinium
  参考文献：
  名称：

  严重的位阻：氢键及其抑制的后果。平衡氢同位素效应

  摘要：

  本文报道，在 51.9 mol % EtOH-H/sub 2/O 中，2,6-二叔丁基吡啶的碱性比吡啶低 0.99 pK 单位，顺式 2,6-二叔丁基哌啶的碱性则为 2.81 pK 单位比哌啶的碱性弱，顺式-2,6-二叔丁基-N-甲基哌啶的碱性比 N-甲基哌啶弱 0.74 pK 单位。碱度在 EtOD-D/sub 2/O 中测定；发现 ..delta..pK 差异减少，表明溶剂同位素效应。(DLC)

  DOI：

  10.1021/ja00414a063

文献信息

• Design, synthesis, structural and thermal characterisation of polymeric chlorocadmate(II) compounds with one-dimensional inorganic chain structures
  作者：Anna Bonamartini Corradi、Maria Rita Cramarossa、Monica Saladini

  DOI：10.1016/s0020-1693(96)05435-7

  日期：1997.4

  Its structure consists of one-dimensional polymeric chains of face-sharing CdCl6 octahedra running along the c axis and methylpiperidinium cations. Compound 2 crystallises in the C2/a space group. The unit cell dimensions are a = 18.459(2), b = 6.986(3) and c = 18.167(2) A , β = 115.95(2)°, Z = 4 . The final R value is 0.0296 (Rw = 0.0330). Its crystal structure consists of polymeric chains of [CdCl4]2−

  摘要具有化学式（Hmepd）[CdCl3]（1）（Hmepd = 1-甲基哌啶阳离子）的氯cadmate（II）化合物。合成（H2meen）2 [Cd2Cl8] * d H2O（2）（H2meen = N-甲基乙二胺二胺）和（H2amepz）[Cd2Cl6（H2O）2]（3）（H2amepz = 1-氨基-4-甲基哌嗪二胺）研究了它们的结构和热性能。化合物1在空间群P2 / a中结晶。晶胞尺寸为a = 15.046（2），b = 10.408（2）和c = 6.786（3）A，β= 92.39（2）°，Z = 4。最终的R值为0.0353（Rw = 0.0328）。它的结构由沿c轴分布的面共享CdCl6八面体的一维聚合物链和甲基哌啶鎓阳离子组成。化合物2在C2 / a空间基团中结晶。晶胞尺寸为a = 18.459（2），b = 6.986（3）和c = 18.167（2）A，β= 115.95（2）°，Z
• Jortay, C.; Flammang, R.; Maquestiau, A., Bulletin des Societes Chimiques Belges, 1985, vol. 94, # 10, p. 727 - 734
  作者：Jortay, C.、Flammang, R.、Maquestiau, A.

  DOI：——

  日期：——
• Severe steric hindrance: hydrogen bonding and the consequences of its inhibition. Equilibrium hydrogen isotope effects
  作者：Jack C. Day

  DOI：10.1021/ja00414a063

  日期：1981.12

  6-di-tert-butyl-N-methylpiperidine is 0.74 pK units less basic than N-methylpiperidine. Basicities were determined in EtOD-D/sub 2/O; the ..delta..pK differences were found to be reduced, indicating a solvent isotope effect. (DLC)

  本文报道，在 51.9 mol % EtOH-H/sub 2/O 中，2,6-二叔丁基吡啶的碱性比吡啶低 0.99 pK 单位，顺式 2,6-二叔丁基哌啶的碱性则为 2.81 pK 单位比哌啶的碱性弱，顺式-2,6-二叔丁基-N-甲基哌啶的碱性比 N-甲基哌啶弱 0.74 pK 单位。碱度在 EtOD-D/sub 2/O 中测定；发现 ..delta..pK 差异减少，表明溶剂同位素效应。(DLC)
• Organic‐Inorganic Hybrid Crystal [1‐methylpiperidinium] ₂ [ZnCl ₄ ] with High <i>T</i> _c Phase Transition and Dielectric Switches
  作者：Ming Chen、Chang‐Yuan Su、Wan‐Ying Zhang、Wei‐Yi Wang、Pei‐Zhi Huang、Yi Zhang、Da‐Wei Fu

  DOI：10.1002/ejic.202100671

  日期：2021.11.8

  AbstractThe hybrid switchable materials induced by dielectric phase transition are always an important scientific topic for their potential applications in the flexible sensor and devices. And the organic cations and anions can interact effectively, which is conducive to the functional development in the organic‐inorganic hybrid crystal state. In which, the flexible organic cations are more likely to undergo dynamic motion such as order‐disorder transformation and reorientation under temperature stimulation. Here, we chose 1‐methylpiperidinium as flexible organic cation, and then successfully designed a new organic‐inorganic hybrid crystal [1‐methylpiperidinium]2[ZnCl4] (compound 1), which displays a phase‐transition packing structure. It′s worth pointing out that compound 1 undergoes a reversible phase transition at 393.8 K accompanied with a conspicuous dielectric response. The dielectric constant can switch rapidly and reversibly between high and low dielectric states with excellent cycle stability. We believe that the report of compound 1 is conducive to the design of new series of switching materials.

表征谱图