3,8-bis(4'-(4-methoxyphenyl)-2'-pyridyl)-4,7-phenanthroline | 915283-62-4

• 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: 3,8-bis(4'-(4-methoxyphenyl)-2'-pyridyl)-4,7-phenanthroline
• 英文别名: 3,8-bis(4-(4-methoxyphenyl)-2'-pyridyl)-4,7-phenanthroline；3,8-Bis[5-(4-methoxyphenyl)pyridin-2-YL]-4,7-phenanthroline；3,8-bis[5-(4-methoxyphenyl)pyridin-2-yl]-4,7-phenanthroline
• CAS: 915283-62-4
• 化学式: C₃₆H₂₆N₄O₂
• 分子量: 546.628
• InChiKey: UFKOMQSEOFMIKK-UHFFFAOYSA-N

物化性质

• 沸点：
  800.8±65.0 °C(Predicted)
• 密度：
  1.243±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  42
• 可旋转键数：
  6
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  70
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3,8-bis(4'-(4-methoxyphenyl)-2'-pyridyl)-4,7-phenanthroline 、 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 以 二氯甲烷 、 乙腈 为溶剂， 以99%的产率得到[Cu4(3,8-bis(4-(4-methoxyphenyl)-2'-pyridyl)-4,7phenanthroline)2(C68H64N6O12)2](PF6)4
  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-dibromo-4,7-phenanthroline 在 四(三苯基膦)钯 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 83.0h， 生成 3,8-bis(4'-(4-methoxyphenyl)-2'-pyridyl)-4,7-phenanthroline
  参考文献：
  名称：

  Copper(i)-induced threading of two bis-macrocycles on two rods: a cyclic [4]rotaxane

  摘要：

  以铜（I）为模板，通过将两个双配位点棒穿过两个双大环，在室温下定量合成了环状假轮烷四聚体。

  DOI：

  10.1039/b601703g

文献信息

• Copper(i)-induced threading of two bis-macrocycles on two rods: a cyclic [4]rotaxane
  作者：Jean-Paul Collin、Julien Frey、Val?rie Heitz、Efstathia Sakellariou、Jean-Pierre Sauvage、Christian Tock

  DOI：10.1039/b601703g

  日期：——

  A cyclic pseudo-rotaxane tetramer has been synthesised quantitatively at room temperature by threading two two-coordination site rods through two bis-macrocycles in the presence of copper(I) as a template.

  以铜（I）为模板，通过将两个双配位点棒穿过两个双大环，在室温下定量合成了环状假轮烷四聚体。
• Cyclic [2]Pseudorotaxane Tetramers Consisting of Two Rigid Rods Threaded through Two Bis-Macrocycles: Copper(I)-Templated Synthesis and X-ray Structure Studies
  作者：Julien Frey、Christian Tock、Jean-Paul Collin、Valérie Heitz、Jean-Pierre Sauvage、Kari Rissanen

  DOI：10.1021/ja801924y

  日期：2008.8.1

  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.