bis(4-tert-butylphenyl)(4-ethylphenyl)methanol | 392711-10-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: bis(4-tert-butylphenyl)(4-ethylphenyl)methanol
• CAS: 392711-10-3
• 化学式: C₂₉H₃₆O
• 分子量: 400.604
• InChiKey: QWUTWRMBNLGITQ-UHFFFAOYSA-N

物化性质

• 沸点：
  517.9±19.0 °C(Predicted)
• 密度：
  1.010±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.13
• 重原子数：
  30.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  20.23
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  bis(4-tert-butylphenyl)(4-ethylphenyl)methanol 在 氢氧化钾 、 氯化亚砜 作用下， 以 甲苯 为溶剂， 生成
  参考文献：
  名称：

  Slippage—an alternative method for assembling [2]rotaxanes

  摘要：

  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）。

  DOI：

  10.1039/c39930001269
• 作为产物：
  描述：

  4-叔丁基溴苯 、 4-乙基苯甲酸甲酯 在 magnesium 作用下， 生成 bis(4-tert-butylphenyl)(4-ethylphenyl)methanol
  参考文献：
  名称：

  Self-Assembly, Spectroscopic, and Electrochemical Properties of [n]Rotaxanes¹

  摘要：

  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.

  DOI：

  10.1021/ja954334d

文献信息

• A Perylene Diimide Rotaxane: Synthesis, Structure and Electrochemically Driven De-Threading
  作者：Benjamin J. Slater、E. Stephen Davies、Stephen P. Argent、Harriott Nowell、William Lewis、Alexander J. Blake、Neil R. Champness

  DOI：10.1002/chem.201103090

  日期：2011.12.23

  The first example of a [2]‐rotaxane in which a perylene diimide acts as a recognition site has been synthesised and characterised. The interlocked nature of the compound has been verified by both NMR studies and an X‐ray structure determination. Electrochemical investigations confirm that the nature of the redox processes associated with the perylene diimide are modified by the complexation process

  合成并表征了[2]-轮烷的第一个例子，其中per二酰亚胺充当识别位点。化合物的互锁性质已通过NMR研究和X射线结构测定得到了证实。电化学研究证实，与per二酰亚胺相关的氧化还原过程的性质可以通过络合过程进行修饰，并且可以单还原[2]-轮烷以产生基于自由基阴离子的轮烷。化合物的进一步减少会导致大环从减少的PTCDI识别位点上脱线。我们的合成策略证实了基于PTCDI的轮烷作为制备复杂的互锁物种的可行目标的潜力。
• Molecular-Based Electronically Switchable Tunnel Junction Devices
  作者：C. Patrick Collier、Jan O. Jeppesen、Yi Luo、Julie Perkins、Eric W. Wong、James R. Heath、J. Fraser Stoddart

  DOI：10.1021/ja0114456

  日期：2001.12.19

  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.