2,6-bis((pyrid-4-yl)ethynyl)pyridine | 1301298-13-4

• 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: 2,6-bis((pyrid-4-yl)ethynyl)pyridine
• 英文别名: 2,6-bis(pyridin-4-ylethynyl)pyridine；2,6-Bis(2-pyridin-4-ylethynyl)pyridine；2,6-bis(2-pyridin-4-ylethynyl)pyridine
• CAS: 1301298-13-4
• 化学式: C₁₉H₁₁N₃
• 分子量: 281.316
• InChiKey: YGCPVNJPJZBXHD-UHFFFAOYSA-N

物化性质

• 沸点：
  531.2±45.0 °C(Predicted)
• 密度：
  1.27±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  38.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,6-bis((pyrid-4-yl)ethynyl)pyridine 、 (acetonitrile) palladium (II) tetrafluoroborate 以 氘代二甲亚砜 为溶剂， 反应 3.0h， 以67%的产率得到
  参考文献：
  名称：

  M₁₂L₂₄ Spheres with Endo and Exo Coordination Sites: Scaffolds for Non-Covalent Functionalization

  摘要：

  M12L24 spherical complexes incorporating 24 free pyridine rings on their interior or exterior surfaces were synthesized via the self-assembly of tridentate tris(pyridine) ligands with Pd2+ ions. Coordination of secondary metal ions in the interior of the spherical framework was achieved through interactions of 24 Ag+ ions with the free endo pyridine rings.

  DOI：

  10.1021/ja4043609
• 作为产物：
  描述：

  4-溴吡啶 、 2,6-二(乙炔基)吡啶 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 20.0h， 以52%的产率得到2,6-bis((pyrid-4-yl)ethynyl)pyridine
  参考文献：
  名称：

  Self-assembly of coordinative supramolecular polygons with open binding sites

  摘要：

  The design and synthesis of coordinative supramolecular polygons with open binding sites is described. Coordination-driven self-assembly of 2,6-bis(pyridin-4-ylethynyl)pyridine with 60 degrees and 120 degrees organoplatinum acceptors results in quantitative formation of a supramolecular rhomboid and hexagon, respectively, both bearing open pyridyl binding sites. The structures were determined by multinuclear (P-31 and H-1) NMR spectroscopy and electrospray ionization (ESI) mass spectrometry, along with a computational study. Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2010.11.119

文献信息

• Self-assembly of coordinative supramolecular polygons with open binding sites
  作者：Yao-Rong Zheng、Ming Wang、Shiho Kobayashi、Peter J. Stang

  DOI：10.1016/j.tetlet.2010.11.119

  日期：2011.4

  The design and synthesis of coordinative supramolecular polygons with open binding sites is described. Coordination-driven self-assembly of 2,6-bis(pyridin-4-ylethynyl)pyridine with 60 degrees and 120 degrees organoplatinum acceptors results in quantitative formation of a supramolecular rhomboid and hexagon, respectively, both bearing open pyridyl binding sites. The structures were determined by multinuclear (P-31 and H-1) NMR spectroscopy and electrospray ionization (ESI) mass spectrometry, along with a computational study. Published by Elsevier Ltd.
• M₁₂L₂₄ Spheres with Endo and Exo Coordination Sites: Scaffolds for Non-Covalent Functionalization
  作者：Kate Harris、Qing-Fu Sun、Sota Sato、Makoto Fujita

  DOI：10.1021/ja4043609

  日期：2013.8.28

  M12L24 spherical complexes incorporating 24 free pyridine rings on their interior or exterior surfaces were synthesized via the self-assembly of tridentate tris(pyridine) ligands with Pd2+ ions. Coordination of secondary metal ions in the interior of the spherical framework was achieved through interactions of 24 Ag+ ions with the free endo pyridine rings.