N,N'-(Hexane-1,6-diyl)bis[1-(pyridin-4-yl)piperidine-4-carboxamide] | 646068-28-2

• 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: N,N'-(Hexane-1,6-diyl)bis[1-(pyridin-4-yl)piperidine-4-carboxamide]
• 英文别名: 1-pyridin-4-yl-N-[6-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]hexyl]piperidine-4-carboxamide
• CAS: 646068-28-2
• 化学式: C₂₈H₄₀N₆O₂
• 分子量: 492.665
• InChiKey: ITLLVFZJVDGTSF-UHFFFAOYSA-N

物化性质

• 沸点：
  790.4±60.0 °C(Predicted)
• 密度：
  1.152±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  36
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  90.5
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1,6-己二胺 、 1-吡啶-4-哌啶-4-甲酸 在 吡啶 、 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以40%的产率得到N,N'-(Hexane-1,6-diyl)bis[1-(pyridin-4-yl)piperidine-4-carboxamide]
  参考文献：
  名称：

  Orthogonal Control of Dissociation Dynamics Relative to Thermodynamics in a Main-Chain Reversible Polymer

  摘要：

  A pair of homologous and soluble reversible polymers display nearly identical solution structures but dramatically different dissociation dynamics (1.0 vs ca. 100 s-1) along their main chains. The polymers are formed by organopalladium-pyridine coordination, and steric effects at the metal center control the dynamics. Importantly, the association constant is not significantly affected by the sterics. The resulting orthogonal control over dissociation kinetics provides a general tool for studying the effects of dynamics independent of thermodynamics in supramolecular systems, particularly main-chain reversible polymers.

  DOI：

  10.1021/ja036709y

文献信息

• Orthogonal Control of Dissociation Dynamics Relative to Thermodynamics in a Main-Chain Reversible Polymer
  作者：Wayne C. Yount、Hemraj Juwarker、Stephen L. Craig

  DOI：10.1021/ja036709y

  日期：2003.12.1

  A pair of homologous and soluble reversible polymers display nearly identical solution structures but dramatically different dissociation dynamics (1.0 vs ca. 100 s-1) along their main chains. The polymers are formed by organopalladium-pyridine coordination, and steric effects at the metal center control the dynamics. Importantly, the association constant is not significantly affected by the sterics. The resulting orthogonal control over dissociation kinetics provides a general tool for studying the effects of dynamics independent of thermodynamics in supramolecular systems, particularly main-chain reversible polymers.