2-(2-{4-[bis(4-tert-butylphenyl)-(4-ethylphenyl)methyl]phenoxy}ethoxy)ethanol | 177609-52-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 2-(2-{4-[bis(4-tert-butylphenyl)-(4-ethylphenyl)methyl]phenoxy}ethoxy)ethanol
• CAS: 177609-52-8
• 化学式: C₃₉H₄₈O₃
• 分子量: 564.808
• InChiKey: ADDNMXFIVMGYJU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.61
• 重原子数：
  42.0
• 可旋转键数：
  11.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  38.69
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2-(2-{4-[bis(4-tert-butylphenyl)-(4-ethylphenyl)methyl]phenoxy}ethoxy)ethanol 在 四溴化碳 、 三苯基膦 作用下， 以 二氯甲烷 为溶剂， 反应 47.0h， 以95%的产率得到2-(2-{4-[bis(4-tert-butylphenyl)-(4-ethylphenyl)methyl]phenoxy}ethoxy)ethyl bromide
  参考文献：
  名称：

  Molecular-Based Electronically Switchable Tunnel Junction Devices

  摘要：

  Solid-state tunnel junction devices were fabricated from Langmuir Blodgett molecular monolayers of a bistable [2]catenane, a bistable [2]pseudorotaxane, and a single-station [2]rotaxane. All devices exhibited a (noncapacitive) hysteretic current-voltage response that switched the device between high- and low-conductivity states, although control devices exhibited no such response. Correlations between the structure and solution-phase dynamics of the molecular and supramolecular systems, the crystallographic domain structure of the monolayer film, and the room-temperature device performance characteristics are reported.

  DOI：

  10.1021/ja0114456
• 作为产物：
  描述：

  4-[bis(4-tert-butylphenyl)(4-ethylphenyl)methyl]phenol 在 盐酸 、 氢氧化钾 、 lithium bromide 作用下， 以 甲醇 、 二氯甲烷 、 正丁醇 为溶剂， 反应 62.5h， 生成 2-(2-{4-[bis(4-tert-butylphenyl)-(4-ethylphenyl)methyl]phenoxy}ethoxy)ethanol
  参考文献：
  名称：

  Self-Assembly of an Amphiphilic [2]Rotaxane Incorporating a Tetrathiafulvalene Unit

  摘要：

  [GRAPHICS]The template-directed synthesis of a [2]rotaxane, in which a pi -electron deficient ring component-cyclobis(paraquat-p-phenylene)-is assembled around a pi -electron rich asymmetric monopyrrolotetrathiafulvalene unit on the rod section of an amphiphilic dumbbell component that is terminated by a hydrophilic dendritic stopper at one end and a hydrophobic tetraarylmethane stopper at the other end, is reported.

  DOI：

  10.1021/ol006387s

文献信息

• Slippage—an alternative method for assembling [2]rotaxanes
  作者：Peter R. Ashton、Martin Bělohradský、Douglas Philp、J. Fraser Stoddart

  DOI：10.1039/c39930001269

  日期：——

  The exploitation of size-complementarity between the macrocyclic component and the stoppers of the dumbbell component of a [2]rotaxane, together with stabilising noncovalent bonding interactions that create a thermodynamic trap, have permitted the development of an alternative method, which can be termed slippage, for the syntheses of [2]rotaxanes in good yields.

  利用宏环组分与哑铃组分的堵头之间的尺寸互补性，以及形成热力学陷阱的稳定非共价键相互作用，开发了一种替代方法，称为滑动法，从而实现了高产率合成[2]旋转烃（[2]rotaxanes）。
• Self-Assembly, Spectroscopic, and Electrochemical Properties of [<i>n</i>]Rotaxanes¹
  作者：Peter R. Ashton、Roberto Ballardini、Vincenzo Balzani、Martin Bělohradský、Maria Teresa Gandolfi、Douglas Philp、Luca Prodi、Françisco M. Raymo、Mark V. Reddington、Neil Spencer、J. Fraser Stoddart、Margherita Venturi、David J. Williams

  DOI：10.1021/ja954334d

  日期：1996.1.1

  Synthetic approaches to self-assembling [n]rotaxanes incorporating pi-eleclron deficient bipyridinium-based dumbbell-shaped components and pi-electron rich hydroquinone-based macrocycles have been developed. In particular, the so-called slippage methodology relies upon the size complementarity of preformed macrocyclic and dumbbell-shaped components. The spontaneous self-assembly of these complementary components into a rotaxane in solution can be achieved under the influence of an appropriate amount of thermal energy. The absorption spectra, luminescence properties, and electrochemical behavior of the rotaxanes and their dumbbell-shaped components have been investigated and discussed on the basis of the behavior of their chromophoric and electroactive units. Charge-transfer and energy-transfer processes between specific chromophoric subunits and unusual correlations between the redox patterns of the various compounds have been evidenced and interpreted.