2-(2-{4-[bis(4-tert-butylphenyl)-(4-ethylphenyl)methyl]phenoxy}ethoxy)ethyl iodide | 314286-38-9

• 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)ethyl iodide
• CAS: 314286-38-9
• 化学式: C₃₉H₄₇IO₂
• 分子量: 674.705
• InChiKey: JERWVZJAISPIEZ-UHFFFAOYSA-N

物化性质

• 沸点：
  663.0±55.0 °C(Predicted)
• 密度：
  1.203±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  10.06
• 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：
  18.46
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  2-(2-{4-[bis(4-tert-butylphenyl)-(4-ethylphenyl)methyl]phenoxy}ethoxy)ethyl iodide 在 sodium methylate 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 20.33h， 生成 2-[4-[2-[2-[4-[bis(4-tert-butylphenyl)-(4-ethylphenyl)methyl]phenoxy]ethoxy]ethylsulfanyl]-5-methylsulfanyl-1,3-dithiol-2-ylidene]-5H-[1,3]dithiolo[4,5-c]pyrrole
  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
• 作为产物：
  描述：

  2-{4-[4-Ethylphenyl-bis(4-tert-butylphenyl)methyl]phenoxy}ethoxy ethanol 4-methylbenzenesulfonate 在 sodium iodide 作用下， 以 丙酮 为溶剂， 反应 14.0h， 以99%的产率得到2-(2-{4-[bis(4-tert-butylphenyl)-(4-ethylphenyl)methyl]phenoxy}ethoxy)ethyl iodide
  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