4',4'''-((4,7-phenanthroline-3,8-diyl)bis(pyridine-6,3-diyl))bis(2',5'-diethyl-[1,1'-biphenyl]-4-ol) | 1048958-31-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 4',4'''-((4,7-phenanthroline-3,8-diyl)bis(pyridine-6,3-diyl))bis(2',5'-diethyl-[1,1'-biphenyl]-4-ol)
• CAS: 1048958-31-1
• 化学式: C₅₄H₄₆N₄O₂
• 分子量: 782.985
• InChiKey: GWHADKJEQHSKPB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.24
• 重原子数：
  60.0
• 可旋转键数：
  10.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  92.02
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  1-bromo-3,6,9-trioxadodec-11-ene 、 4',4'''-((4,7-phenanthroline-3,8-diyl)bis(pyridine-6,3-diyl))bis(2',5'-diethyl-[1,1'-biphenyl]-4-ol) 在 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以80%的产率得到3,8-bis(5-(4'-(2-(2-(2-(allyloxy)ethoxy)ethoxy)ethoxy)-2,5-diethyl-[1,1'-biphenyl]-4-yl)pyridin-2-yl)-4,7-phenanthroline
  参考文献：
  名称：

  Cyclic [2]Pseudorotaxane Tetramers Consisting of Two Rigid Rods Threaded through Two Bis-Macrocycles: Copper(I)-Templated Synthesis and X-ray Structure Studies

  摘要：

  Variously substituted coordinating rigid rods have been synthesized which incorporate a central 4,7-phenanthroline nucleus attached to two 2-pyridyl groups via its 3 and 8 positions, so as to yield bis-bidentate chelates, the two-coordinating axes of the chelates being parallel to one another. Regardless of the nature of the substituents borne by the rods, the copper(I)-induced threading reaction of two such rods through the rings of two bis-macrocycles affords in a quantitative yield the 4-copper(I) threaded assembly. The [2]pseudorotaxane tetramers thus obtained have been fully characterized in solution and, for one of them, an X-ray structure could be obtained, confirming the threaded nature of the complex and providing important structural information.

  DOI：

  10.1021/ja801924y
• 作为产物：
  描述：

  3,8-bis(5-(2,5-diethyl-4'-((tetrahydro-2H-pyran-2-yl)oxy)-[1,1'-biphenyl]-4-yl)pyridin-2-yl)-4,7-phenanthroline 在 盐酸 作用下， 以 甲醇 、 二氯甲烷 、 水 为溶剂， 反应 4.0h， 以95%的产率得到4',4'''-((4,7-phenanthroline-3,8-diyl)bis(pyridine-6,3-diyl))bis(2',5'-diethyl-[1,1'-biphenyl]-4-ol)
  参考文献：
  名称：

  Cyclic [2]Pseudorotaxane Tetramers Consisting of Two Rigid Rods Threaded through Two Bis-Macrocycles: Copper(I)-Templated Synthesis and X-ray Structure Studies

  摘要：

  Variously substituted coordinating rigid rods have been synthesized which incorporate a central 4,7-phenanthroline nucleus attached to two 2-pyridyl groups via its 3 and 8 positions, so as to yield bis-bidentate chelates, the two-coordinating axes of the chelates being parallel to one another. Regardless of the nature of the substituents borne by the rods, the copper(I)-induced threading reaction of two such rods through the rings of two bis-macrocycles affords in a quantitative yield the 4-copper(I) threaded assembly. The [2]pseudorotaxane tetramers thus obtained have been fully characterized in solution and, for one of them, an X-ray structure could be obtained, confirming the threaded nature of the complex and providing important structural information.

  DOI：

  10.1021/ja801924y

文献信息

• Collin, Jean-Paul; Frey, Julien; Heitz, Valerie, Journal of the American Chemical Society, 2009, vol. 131, p. 5609 - 5620
  作者：Collin, Jean-Paul、Frey, Julien、Heitz, Valerie、Sauvage, Jean-Pierre、Tock, Christian、Allouche, Lionel

  DOI：——

  日期：——