3,3,5,5-四(吡啶-4-基乙炔基)-1,1-联苯 | 1185909-06-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3,3,5,5-四(吡啶-4-基乙炔基)-1,1-联苯
• 英文名称: 3,5,3',5'-tetrakis(pyridylethynyl)biphenyl
• 英文别名: 3,3',5,5'-Tetrakis(pyridin-4-ylethynyl)-1,1'-biphenyl；4-[2-[3-[3,5-bis(2-pyridin-4-ylethynyl)phenyl]-5-(2-pyridin-4-ylethynyl)phenyl]ethynyl]pyridine
• CAS: 1185909-06-1
• 化学式: C₄₀H₂₂N₄
• 分子量: 558.641
• InChiKey: KSSJDVSJCJKTPX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  44
• 可旋转键数：
  9
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  51.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-[2-[6-(2-Pyridin-4-ylethynyl)phenanthren-3-yl]ethynyl]pyridine 、 μ-1,4-phenylenetetrakis(triethylphosphine)bis(1,1,1-trifluoromethanesulfonato-κO)diplatinum 、 3,3,5,5-四(吡啶-4-基乙炔基)-1,1-联苯 生成
  参考文献：
  名称：

  Stoichiometric Control of Multiple Different Tectons in Coordination-Driven Self-Assembly: Preparation of Fused Metallacyclic Polygons

  摘要：

  We present a general strategy for the synthesis of stable, multicomponent fused polygon complexes in which coordination-driven self-assembly allows for single supramolecular species to be formed from multicomponent self-assembly and the shape of the obtained polygons can be controlled simply by changing the ratio of individual components. The compounds have been characterized by multinuclear NMR spectroscopy and electrospray ionization mass spectrometry.

  DOI：

  10.1021/ja903330j
• 作为产物：
  描述：

  3,3′,5,5′-四溴-1,1′-联苯 、 4-ethynylpyridine hydrochloride 在 copper(l) iodide 、 四(三苯基膦)钯 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 48.0h， 以27%的产率得到3,3,5,5-四(吡啶-4-基乙炔基)-1,1-联苯
  参考文献：
  名称：

  Stoichiometric Control of Multiple Different Tectons in Coordination-Driven Self-Assembly: Preparation of Fused Metallacyclic Polygons

  摘要：

  We present a general strategy for the synthesis of stable, multicomponent fused polygon complexes in which coordination-driven self-assembly allows for single supramolecular species to be formed from multicomponent self-assembly and the shape of the obtained polygons can be controlled simply by changing the ratio of individual components. The compounds have been characterized by multinuclear NMR spectroscopy and electrospray ionization mass spectrometry.

  DOI：

  10.1021/ja903330j

文献信息

• Stoichiometric Control of Multiple Different Tectons in Coordination-Driven Self-Assembly: Preparation of Fused Metallacyclic Polygons
  作者：Junseong Lee、Koushik Ghosh、Peter J. Stang

  DOI：10.1021/ja903330j

  日期：2009.9.2

  We present a general strategy for the synthesis of stable, multicomponent fused polygon complexes in which coordination-driven self-assembly allows for single supramolecular species to be formed from multicomponent self-assembly and the shape of the obtained polygons can be controlled simply by changing the ratio of individual components. The compounds have been characterized by multinuclear NMR spectroscopy and electrospray ionization mass spectrometry.