trans-2,6-dimethyl-2,6-diphenylpiperidine | 207131-26-8

• 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: trans-2,6-dimethyl-2,6-diphenylpiperidine
• 英文别名: (2R,6R)-2,6-dimethyl-2,6-diphenylpiperidine
• CAS: 207131-26-8
• 化学式: C₁₉H₂₃N
• 分子量: 265.398
• InChiKey: JFXGEPDQZDSIHZ-RTBURBONSA-N

物化性质

• 沸点：
  377.6±41.0 °C(Predicted)
• 密度：
  0.991±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  trans-2,6-dimethyl-2,6-diphenylpiperidine 、 三(五氟苯基)硼烷 、 氢气 以 甲苯 为溶剂， 以99%的产率得到trans-2,6-dimethyl-2,6-diphenylpiperidiniumhydrido[tris(pentafluorophenyl)]borete
  参考文献：
  名称：

  Experimental and theoretical treatment of hydrogen splitting and storage in boron–nitrogen systems

  摘要：

  Hydrogen gas serves as a reducing agent and hydrogen atom source in numerous industrially important chemical processes and also has a great potential as a clean power source for fuel cells. In this respect, the reversible storage of hydrogen and the development of new metal-free hydrogenation catalysts are important tasks. Here, we review the recent literature, primarily on cases where the split H(2) forms an N-H center dot center dot center dot H-B dihydrogen bond. In these systems dihydrogen interaction was found to be the key actor in the hydrogen liberating process. Accordingly, the intramolecular ansa-aminoboranes (where B and N atoms are situated within each other's range) can reversibly activate hydrogen. Moreover, the theoretical studies of the hydrogen splitting by bulky Lewis acid-Lewis base systems are discussed. (C) 2009 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2009.03.023
• 作为产物：
  描述：

  trans-2,6-dimethyl-2,6-diphenylpiperidiniumhydrido[tris(pentafluorophenyl)]borete 以 氘代甲苯 为溶剂， 以50%的产率得到trans-2,6-dimethyl-2,6-diphenylpiperidine
  参考文献：
  名称：

  Experimental and theoretical treatment of hydrogen splitting and storage in boron–nitrogen systems

  摘要：

  Hydrogen gas serves as a reducing agent and hydrogen atom source in numerous industrially important chemical processes and also has a great potential as a clean power source for fuel cells. In this respect, the reversible storage of hydrogen and the development of new metal-free hydrogenation catalysts are important tasks. Here, we review the recent literature, primarily on cases where the split H(2) forms an N-H center dot center dot center dot H-B dihydrogen bond. In these systems dihydrogen interaction was found to be the key actor in the hydrogen liberating process. Accordingly, the intramolecular ansa-aminoboranes (where B and N atoms are situated within each other's range) can reversibly activate hydrogen. Moreover, the theoretical studies of the hydrogen splitting by bulky Lewis acid-Lewis base systems are discussed. (C) 2009 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2009.03.023

文献信息

• Experimental and theoretical treatment of hydrogen splitting and storage in boron–nitrogen systems
  作者：Victor Sumerin、Felix Schulz、Martin Nieger、Michiko Atsumi、Cong Wang、Markku Leskelä、Pekka Pyykkö、Timo Repo、Bernhard Rieger

  DOI：10.1016/j.jorganchem.2009.03.023

  日期：2009.8

  Hydrogen gas serves as a reducing agent and hydrogen atom source in numerous industrially important chemical processes and also has a great potential as a clean power source for fuel cells. In this respect, the reversible storage of hydrogen and the development of new metal-free hydrogenation catalysts are important tasks. Here, we review the recent literature, primarily on cases where the split H(2) forms an N-H center dot center dot center dot H-B dihydrogen bond. In these systems dihydrogen interaction was found to be the key actor in the hydrogen liberating process. Accordingly, the intramolecular ansa-aminoboranes (where B and N atoms are situated within each other's range) can reversibly activate hydrogen. Moreover, the theoretical studies of the hydrogen splitting by bulky Lewis acid-Lewis base systems are discussed. (C) 2009 Elsevier B. V. All rights reserved.