1,4,7,10,13,18,21,24,27,30,35,38,41,44,47-Pentadecaoxa<13,13,13>paracyclophane | 154927-17-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,4,7,10,13,18,21,24,27,30,35,38,41,44,47-Pentadecaoxa<13,13,13>paracyclophane
• 英文别名: Tris-p-phenylene-<51>krone-15；tris-p-phenylene[51]crown-15；Tris-p-phenylene-[51]krone-15
• CAS: 154927-17-0
• 化学式: C₄₂H₆₀O₁₅
• 分子量: 804.929
• InChiKey: OQZUBISLLIRFFP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.52
• 重原子数：
  57.0
• 可旋转键数：
  0.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  138.45
• 氢给体数：
  0.0
• 氢受体数：
  15.0

反应信息

• 作为反应物：
  描述：

  1,4,7,10,13,18,21,24,27,30,35,38,41,44,47-Pentadecaoxa<13,13,13>paracyclophane 、 dibenzylammonium hexafluorophosphate 以 正己烷 、 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  多链和多环假轮烷†

  摘要：

  四种多组分轮烷类复合物的自组装，其中 (a) 三个或四个二苯并[24]冠-8 环环绕线状低聚铵阳离子 [PhCH2(NH2+CH2C6H4CH2)nNH2+CH2Ph]（n = 2 或 3 ）形成多重环绕的假轮烷，或（b）三个或四个二苄基铵离子同时穿过大环聚醚，即tris-p-phenylene[51]crown-15和tetrakis-p-phenylene[68]crown-20 ，给出多链假轮烷，描述。这些超分子实体是由于稳定 [N+H…O] 和 [CH…O] 氢键而产生的，偶尔辅以芳香面对面和边缘到面对面的相互作用，以及 [CH· ··F] 分子间键。这些不同的假轮烷结构在溶液、固态和某些情况下存在的证据，

  DOI：

  10.1021/ja9714806
• 作为产物：
  描述：

  1,11-bis(4-hydroxyphenoxy)-3,6,9-trioxaundecane 、 1,4-bis[2-(2-(2-(2-toluene-p-sulfonylethoxy)ethoxy)ethoxy)ethoxy]benzene 在 四丁基碘化铵 、 caesium carbonate 、 cesium 4-methylbenzenesulfonate 作用下， 生成 1,4,7,10,13,18,21,24,27,30,35,38,41,44,47-Pentadecaoxa<13,13,13>paracyclophane
  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

文献信息

• Amabilino, David B.; Ashton, Peter R.; Reder, Anatoli S., Angewandte Chemie, 1994, vol. 106, # 4, p. 450 - 453
  作者：Amabilino, David B.、Ashton, Peter R.、Reder, Anatoli S.、Spencer, Neil、Stoddart, J. Fraser

  DOI：——

  日期：——