4,7-D-(n-Hexyl)-2,9-di-[4'-(p-hydroxyphenyl)phenyl]-1,10-phenanthroline | 180133-86-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 4,7-D-(n-Hexyl)-2,9-di-[4'-(p-hydroxyphenyl)phenyl]-1,10-phenanthroline
• 英文别名: 4,7-di-n-hexyl-2,9-bis[4'-(4-hydroxyphenyl)phenyl]-1,10-phenanthroline
• CAS: 180133-86-2
• 化学式: C₄₈H₄₈N₂O₂
• 分子量: 684.921
• InChiKey: NBFPQXXCXAZOCX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.11
• 重原子数：
  52.0
• 可旋转键数：
  14.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  66.24
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  3,5-Bis-{2-[2-(2-iodo-ethoxy)-ethoxy]-ethoxy}-benzoic acid methyl ester 、 4,7-D-(n-Hexyl)-2,9-di-[4'-(p-hydroxyphenyl)phenyl]-1,10-phenanthroline 在 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以53%的产率得到
  参考文献：
  名称：

  Poly[2]-catenanes containing alternating topological and covalent bonds

  摘要：

  A poly[2]-catenane containing interlocking 45-membered rings is synthesized; the polymer backbone includes alternating topological links and covalent bonds.

  DOI：

  10.1039/cc9960001243
• 作为产物：
  描述：

  4,7-Dihexyl-2,9-bis-(4'-triisopropylsilanyloxy-biphenyl-4-yl)-[1,10]phenanthroline 在 四丁基氟化铵 作用下， 生成 4,7-D-(n-Hexyl)-2,9-di-[4'-(p-hydroxyphenyl)phenyl]-1,10-phenanthroline
  参考文献：
  名称：

  Poly[2]-catenanes containing alternating topological and covalent bonds

  摘要：

  A poly[2]-catenane containing interlocking 45-membered rings is synthesized; the polymer backbone includes alternating topological links and covalent bonds.

  DOI：

  10.1039/cc9960001243

文献信息

• Quantitative Formation of [2]Catenanes Using Copper(I) and Palladium(II) as Templating and Assembling Centers:  The Entwining Route and the Threading Approach
  作者：Christiane Dietrich-Buchecker、Benoît Colasson、Makoto Fujita、Akiko Hori、Neri Geum、Shigeru Sakamoto、Kentaro Yamaguchi、Jean-Pierre Sauvage

  DOI：10.1021/ja021370l

  日期：2003.5.1

  type of coordination catenanes incorporating Cu(I) and Pd(II) metal centers. The ligand designed here contains a phenanthroline core and pyridine sidearms (compound 1). Using this phenanthroline-pyridine conjugated ligand, two approaches were examined, which were shown to be surprisingly efficient for the catenane synthesis: the entwining route (entwining of two ligands around Cu(I) followed by Pd(II)

  过渡金属介导的模板和自组装已显示出合成互锁分子的强大潜力。这两种策略相结合，设计和制备了一种新型配位链烯，包括 Cu(I) 和 Pd(II) 金属中心。此处设计的配体包含菲咯啉核心和吡啶侧臂（化合物 1）。使用这种菲咯啉-吡啶共轭配体，研究了两种方法，它们被证明对链烷合成非常有效：缠绕途径（两个配体缠绕在 Cu(I) 周围，然后是 Pd(II) 剪切）和穿线法（Cu(I) 模板化的环状配体在无环配体上的穿线，然后是第二个环的 Pd(II) 剪切）。在前一种方法中，
• Poly[2]catenanes and Cyclic Oligo[2]catenanes Containing Alternating Topological and Covalent Bonds: Synthesis and Characterization
  作者：Jean-Luc Weidmann、Jean-Marc Kern、Jean-Pierre Sauvage、Dirk Muscat、Susan Mullins、Werner Köhler、Christine Rosenauer、Hans Joachim Räder、Kai Martin、Yves Geerts

  DOI：10.1002/(sici)1521-3765(19990604)5:6<1841::aid-chem1841>3.0.co;2-q

  日期：1999.6.4

  Large bifunctionalized catenate and catenand, composed of macrocycles containing 45 atoms, have been synthesized and copolymerized with a terephthalic acid derivative to afford a cyclic oligo[2]catenand and a linear poly[2]catenate. Poly[2]catenand was obtained by demetalation of poly[2]catenate. The molecular weight distribution of these polymers, which are composed of alternating topological and covalent bonds, has been characterized by gel permeation chromatography (GPC) with universal calibration, viscometry, and MALDI-TOF mass spectrometry, We were able to synthesize a poly[2]catenate and a poly[2]catenand with a degree of polymerization (DP) equal to 8-9. In addition. an upper value of the Kuhn segment length of poly[2]catenand has been determined and is discussed in the light of its structure.
• Kern, Jean-Marc; Sauvage, Jean-Pierre; Weidmann, Jean-Luc, Inorganic Chemistry, 1997, vol. 36, # 23, p. 5329 - 5338
  作者：Kern, Jean-Marc、Sauvage, Jean-Pierre、Weidmann, Jean-Luc、Armaroli, Nicola、Flamigni, Lucia、Ceroni, Paola、Balzani, Vincenzo

  DOI：——

  日期：——