1,4,7,10,13,20,23,26,29,32,35-undecaoxa<13,16>paracyclophane | 113721-88-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,4,7,10,13,20,23,26,29,32,35-undecaoxa<13,16>paracyclophane
• 英文别名: 2,5,8,11,14,19,22,25,28,31,34-undecaoxatricyclo[33.2.2.215,18]hentetraconta-1(38),15,17,35(39),36,40-hexaene
• CAS: 113721-88-3
• 化学式: C₃₀H₄₄O₁₁
• 分子量: 580.673
• InChiKey: UJHAPEJZYMHINT-UHFFFAOYSA-N

物化性质

• 沸点：
  726.3±60.0 °C(predicted)
• 密度：
  1.062±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.03
• 重原子数：
  41.0
• 可旋转键数：
  0.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  101.53
• 氢给体数：
  0.0
• 氢受体数：
  11.0

反应信息

• 作为反应物：
  描述：

  1,4-二(溴甲基)苯 、 1,1-[1,4-phenylenebis(methylene)]bis-4,4'-pyridylpiridinium bis(hexafluorophosphate) 、 1,4,7,10,13,20,23,26,29,32,35-undecaoxa<13,16>paracyclophane 以 乙腈 为溶剂， 反应 168.0h， 以55%的产率得到
  参考文献：
  名称：

  Molecular Meccano. 2. Self-Assembly of [n]Catenanes

  摘要：

  The mutual molecular recognition between different: structural components in large rings has led to the template-directed synthesis of a wide range of catenanes composed of from two to five interlocked rings, The molecular self-assembly processes rely upon the recognition between (i) pi-electron rich and pi-electron deficient aromatic units and (ii) hydrogen bond donors and accepters, in the different components. In order to increase Our knowledge of the factors involved in such molecular self-assembly processes, a homologous series of [2]catenanes has been constructed using macrocyclic polyethers of the bis(p-phenylene)-(3n+4)-crown-n (n = 9-14) type as templates for the formation of the tetracationic cyclophane, cyclobis(paraquat-p-phenylene). Increasing the size of the tetracationic cyclophane to cyclobis(paraquat-4,4'-bitolyl) allows the simultaneous entrapment of two hydroquinone ring-containing macrocyclic polyethers affording a series of [3]catenanes, and one [4]catenane incorporating a cyclic dimer of the expanded cyclophane and three bis(p-phenylene)-34-crown-10 components. By analogy; increasing the number of hydroquinone rings in the macrocyclic polyether permits the self-assembly of more than one tetracationic cyclophane around the templates present in the macrocyclic polyether. In this context, the template-directed synthesis of two [3]catenanes, incorporating two cyclobis(paraquat-p-phenylene) components and either (i) tris(p-phenylene)51-crown-15 or (ii) tetrakis (p-phenylene)-68-crown-20, has been achieved and is reported. A combination of these two approaches has led to the successful self-assembly, in two steps, of a linear [4]catenane, together with a small amount of a [5]catenane: The creation of these intricate molecular compounds lends support to the contention that self-assembly is a viable paradigm for the construction of nanometer-scale molecular architectures incorporating a selection of simple components.

  DOI：

  10.1021/ja00109a011
• 作为产物：
  描述：

  二对甲苯磺酸戊乙二醇 在 palladium on activated charcoal 、 氢气 、 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 72.0h， 生成 1,4,7,10,13,20,23,26,29,32,35-undecaoxa<13,16>paracyclophane
  参考文献：
  名称：

  bisparaphenylene-（3之间的复合物形成Ñ + 4）-crown- Ñ醚和百草枯和敌草快二价阳离子

  摘要：

  溶液中的Uv和NMR光谱研究已用于评估一系列（n = 7–12）双对亚苯基-（3 n + 4）-皇冠-n醚与[Diquat] 2形成稳定的1：1配合物的能力。+和[百草枯] 2+适应症；这些分子识别的图谱由[Diquat] [PF 6 ] 2和[Paraquat] [PF 6 ] 2的1：1配合物的快速原子轰击质谱和[ X ]的单晶X射线结构分析所支持。敌草快·BPP31C9] [PF 6 ] 2。

  DOI：

  10.1039/c39870001066