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 | 1048958-25-3

• 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: 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
• CAS: 1048958-25-3
• 化学式: C₇₂H₇₈N₄O₈
• 分子量: 1127.43
• InChiKey: DDYSHLCRIHMHSI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.05
• 重原子数：
  84.0
• 可旋转键数：
  34.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  125.4
• 氢给体数：
  0.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  描述：

  17,20,23,26,29,32,52,55,58,61,64,67-Dodecaoxa-3,7,11,38,42,46-hexazatridecacyclo[66.2.2.22,5.29,12.213,16.233,36.237,40.244,47.248,51.04,45.06,43.08,41.010,39]hexaoctaconta-1(71),2,4,6(43),7,9,11,13(82),14,16(81),33,35,37,39,41,44,46,48,50,68(72),69,73,75,77,79,83,85-heptacosaene 、 tetrakis(actonitrile)copper(I) hexafluorophosphate 、 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 以 二氯甲烷 、 乙腈 为溶剂， 以99%的产率得到
  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：

  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