2-(1-Methylpiperidin-1-ium-1-yl)ethanol;hydroxide | 109760-80-7

• 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: 2-(1-Methylpiperidin-1-ium-1-yl)ethanol;hydroxide
• CAS: 109760-80-7
• 化学式: C₈H₁₈NO*HO
• 分子量: 161.244
• InChiKey: XGOGGSAAFGHOOP-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.43
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  21.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(1-Methylpiperidin-1-ium-1-yl)ethanol;hydroxide 、 二苯基硼酸酐 、 苯硼酸 以 甲醇 为溶剂， 反应 0.5h， 以52%的产率得到
  参考文献：
  名称：

  Tetraphenylboroxinate(1-) salts of monoborate cations: Synthesis and single-crystal X-ray structures of [Ph2B{OCH2CH2N(Me)(CH2)n}2][Ph4B3O3] (n=4, 5)

  摘要：

  The salts, [Ph(2)B{OCH(2)CH(2)N(Me)(CH(2))(n)}(2)][Ph(4)B(3)O(3)](n = 4,5), were prepared in moderate yields in MeOH solution from reaction of Ph(2)BOBPh(2) with [N(CH(2))n(Me)(CH(2)CH(2)OH)][OH] and PhB(OH)(2) in a 1:2:4 ratio. The reactions also lead to Ph(3)B(3)O(3). Both salts were characterized by NMR ((1)H, (13)C, (11)B) IR, and single-crystal XRD studies. The salts are comprised of cationic monoborates (zwitterionic, 2N(+) and 1B(-)) and tetraphenylboroxinate anions. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2009.09.026
• 作为产物：
  描述：

  [1-(2-hydroxyethyl)-1-Me-piperidinium] iodide 在 Dowex 550A 作用下， 以 甲醇 为溶剂， 生成 2-(1-Methylpiperidin-1-ium-1-yl)ethanol;hydroxide
  参考文献：
  名称：

  Tetraphenylboroxinate(1-) salts of monoborate cations: Synthesis and single-crystal X-ray structures of [Ph2B{OCH2CH2N(Me)(CH2)n}2][Ph4B3O3] (n=4, 5)

  摘要：

  The salts, [Ph(2)B{OCH(2)CH(2)N(Me)(CH(2))(n)}(2)][Ph(4)B(3)O(3)](n = 4,5), were prepared in moderate yields in MeOH solution from reaction of Ph(2)BOBPh(2) with [N(CH(2))n(Me)(CH(2)CH(2)OH)][OH] and PhB(OH)(2) in a 1:2:4 ratio. The reactions also lead to Ph(3)B(3)O(3). Both salts were characterized by NMR ((1)H, (13)C, (11)B) IR, and single-crystal XRD studies. The salts are comprised of cationic monoborates (zwitterionic, 2N(+) and 1B(-)) and tetraphenylboroxinate anions. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2009.09.026