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 | 1048958-30-0

• 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-(2,5-diethyl-4'-((tetrahydro-2H-pyran-2-yl)oxy)-[1,1'-biphenyl]-4-yl)pyridin-2-yl)-4,7-phenanthroline
• CAS: 1048958-30-0
• 化学式: C₆₄H₆₂N₄O₄
• 分子量: 951.221
• InChiKey: UXXMHRPZBBJHEU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.64
• 重原子数：
  72.0
• 可旋转键数：
  14.0
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  88.48
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  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
• 作为产物：
  描述：

  3,8-bis(4-(2,5-diethyl-4-iodophenyl)-2'-pyridyl)-4,7-phenanthroline 、 [4-(四氢吡喃-2-基)氧基]苯硼酸 在 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 乙醇 、 水 、 甲苯 为溶剂， 反应 5.0h， 以75%的产率得到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
  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