1,11-bis<4-(benzyloxy)phenoxy>-3,6,9-trioxaundecane | 113816-32-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1,11-bis<4-(benzyloxy)phenoxy>-3,6,9-trioxaundecane
• 英文别名: 1,11-bis(4'-benzyloxyphenoxy)-3,6,9-trioxaundecane；1,11-bis[4-(benzyloxy)phenoxy]-3,6,9-trioxaundecane；1-Phenylmethoxy-4-[2-[2-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]benzene
• CAS: 113816-32-3
• 化学式: C₃₄H₃₈O₇
• 分子量: 558.672
• InChiKey: HIUDDPHOYNMYDK-UHFFFAOYSA-N

物化性质

• 沸点：
  681.1±55.0 °C(Predicted)
• 密度：
  1.149±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  41
• 可旋转键数：
  20
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  64.6
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  1,11-bis<4-(benzyloxy)phenoxy>-3,6,9-trioxaundecane 在 palladium on activated charcoal 氢气 、 sodium hydride 、 potassium carbonate 作用下， 以 甲醇 、 氯仿 、 N,N-二甲基甲酰胺 为溶剂， 反应 169.0h， 生成 1,11-bis<4-<2-<2-<2-<2-(4-benzyloxyphenoxy)ethoxy>ethoxy>ethoxy>ethoxy>phenoxy>-3,6,9-trioxaundecane
  参考文献：
  名称：

  Amabilino, David B.; Anelli, Pier-Lucio; Ashton, Peter R., Journal of the American Chemical Society, 1995, vol. 117, # 45, p. 11142 - 11170

  摘要：

  DOI：
• 作为产物：
  描述：

  对苯二酚 在 sodium hydride 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 42.0h， 生成 1,11-bis<4-(benzyloxy)phenoxy>-3,6,9-trioxaundecane
  参考文献：
  名称：

  双对亚苯基-34-皇冠-10衍生物对敌草快的络合

  摘要：

  对双对亚苯基-34-crown-10衍生物（BPP34C10）及其与[Diquat] [PF 6 ] 2和H 2 O的1：1：1配合物的X射线结构研究表明，两个晶体学上独立的构型（I和II）都支持大分子腔，一个（II）在络合时保持其总体形状，并通过氢和静电键与[Diquat] 2+指示剂相互作用，同时适应弱的电荷转移相互作用和内部的氢键H 2 O分子分别由更占优势的非共价力施加的对接约束和微腔。

  DOI：

  10.1039/c39870001061

文献信息

• Bauer, Martin; Mueller, Walter Manfred; Mueller, Ute, Liebigs Annalen, 1995, # 4, p. 649 - 656
  作者：Bauer, Martin、Mueller, Walter Manfred、Mueller, Ute、Rissanen, Kari、Voegtle, Fritz

  DOI：——

  日期：——
• Molecular meccano. 1. [2]Rotaxanes and a [2]catenane made to order
  作者：Pier Lucio Anelli、Peter R. Ashton、Roberto Ballardini、Vincenzo Balzani、Milagros Delgado、Maria Teresa Gandolfi、Timothy T. Goodnow、Angel E. Kaifer、Douglas Philp

  DOI：10.1021/ja00027a027

  日期：1992.1

  A new synthetic strategy for the elaboration of supramolecular species and molecular compounds containing noncovalently interacting components is described, with the long-term objective of constructing highly ordered, wholly synthetic assemblies from readily available starting materials. These could serve as a basis for the future development of mechanoelectrical and photoelectrical communication systems and devices capable of storing and processing information. The approach was conceived against a background of a quarter of a century's experience in supramolecular, alias host-guest, chemistry. It is based on the use of irreversibly interlocked molecular systems that take the form of catenanes and rotaxanes. Such compounds are seen to be the ideal vehicles through which to transfer from supramolecular and host-guest chemistry the knowledge and experience gained from studying complexes between small chemical entities to very much larger molecular assemblies. Once we know how to interlock molecular components irreversibly and efficiently, we shall have a very much clearer idea on how to intertwine related polymer chains reversibly. A number of template-directed syntheses of [2]rotaxanes and a [2]catenane is discussed. They illustrate that there are inherently simple ways of making apparently complex unnatural products from appropriate substrates without the need for reagent control or catalysis. The noncovalent bonding interactions that are used to self-assemble the 1:1 complexes, which serve as precursors to the rotaxanes and the catenane, as well as to the [2]rotaxanes and the [2]catenane themselves, ''live on'' in their structures and superstructures after the self-assembly process is complete. A variety of methods, including X-ray crystallography, fast atom bombardment mass spectrometry, ultra violet-visible, luminescence, nuclear magnetic resonance, and electron spin resonance spectroscopies, and electrochemistry, demonstrate the high structural order that is incorporated into these new molecular assemblies in both the solid and solution states.