5,5'-bis(4,4'-bipyridin-1-ium-1-ylmethyl)-2,2'-bipyridine bis(hexafluorophosphate) | 144676-22-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 5,5'-bis(4,4'-bipyridin-1-ium-1-ylmethyl)-2,2'-bipyridine bis(hexafluorophosphate)
• 英文别名: 5,5'-bis(4,4'-bipyridyl-N-methylene)-2,2'-bipyridine bis(hexafluorophosphate)
• CAS: 144676-22-2
• 化学式: C₃₂H₂₆N₆*2F₆P
• 分子量: 784.527
• InChiKey: OOHKNVBJUXDHNW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.32
• 重原子数：
  45.0
• 可旋转键数：
  7.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  59.32
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  5-(溴甲基)-2-吡啶-2-基吡啶 、 5,5'-bis(4,4'-bipyridin-1-ium-1-ylmethyl)-2,2'-bipyridine bis(hexafluorophosphate) 在 ammonium hexafluorophosphate 作用下， 以 乙腈 为溶剂， 反应 24.0h， 以41.2%的产率得到5,5'-bis[1'-(2,2'-bipyridin-5-ylmethyl)-4,4'-bipyridine-1,1'-diium-1-ylmethyl]-2,2'-bipyridine tetrakis(hexafluorophosphate)
  参考文献：
  名称：

  Beer, Paul D.; Fletcher, Nicholas C.; Grieve, Alan, Journal of the Chemical Society. Perkin transactions II, 1996, # 8, p. 1545 - 1552

  摘要：

  DOI：
• 作为产物：
  描述：

  4,4'-联吡啶 、 5,5'-二溴甲基-2,2'-联吡啶 在 ammonium hexafluorophosphate 作用下， 以 乙腈 为溶剂， 反应 20.0h， 以65%的产率得到5,5'-bis(4,4'-bipyridin-1-ium-1-ylmethyl)-2,2'-bipyridine bis(hexafluorophosphate)
  参考文献：
  名称：

  Beer, Paul D.; Fletcher, Nicholas C.; Grieve, Alan, Journal of the Chemical Society. Perkin transactions II, 1996, # 8, p. 1545 - 1552

  摘要：

  DOI：

文献信息

• Anion recognition by new acyclic quaternary polybipyridinium receptors
  作者：Paul D. Beer、John W. Wheeler、Alan Grieve、Christopher Moore、Trevor Wear

  DOI：10.1039/c39920001225

  日期：——

  New acyclic quaternary polybipyridinium receptors L1–L4 containing 5,5′- and 4,4′-disubstituted-N,N′-dimethyl-2,2′-bipyridinium are prepared and shown by preliminary 1H and 13C NMR titration investigations to coordinate chloride and bromide anionic guest species.

  制备了含有 5,5′- 和 4,4′- 二取代-N,N′- 二甲基-2,2′-联吡啶鎓的新型无环四元多联吡啶鎓受体 L1-L4，并通过初步的 1H 和 13C NMR 滴定研究表明，它能配位氯化物和溴化物阴离子客体。
• Allosteric Modulation of Substrate Binding within a Tetracationic Molecular Receptor
  作者：James J. Henkelis、Anthea K. Blackburn、Edward J. Dale、Nicolaas A. Vermeulen、Majed S. Nassar、J. Fraser Stoddart

  DOI：10.1021/jacs.5b08656

  日期：2015.10.21

  The synthesis and recognition phenomena of a tetracationic molecular receptor that possesses a nanometer-sized molecular cavity are described. The host guest properties of the molecular receptor can be tuned and modulated allosterically, where the association of a heterotropic effector at the periphery of the molecule serves to modulate its affinity for the globular, electron-rich guest that resides within its molecular cavity. This stimuli-responsive host guest behavior was observed in both the solution phase and the crystalline solid state, and can be reversed with high fidelity by sequestration of the effector molecule.
• Beer, Paul D.; Fletcher, Nicholas C.; Wear, Trevor, Inorganica Chimica Acta, 1996, vol. 251, # 1-2 PART II, p. 335 - 340
  作者：Beer, Paul D.、Fletcher, Nicholas C.、Wear, Trevor

  DOI：——

  日期：——