1,5-Bis[2-[2-[2,6-di(propan-2-yl)phenoxy]ethoxy]ethoxy]naphthalene | 944936-14-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1,5-Bis[2-[2-[2,6-di(propan-2-yl)phenoxy]ethoxy]ethoxy]naphthalene
• 英文别名: 1,5-bis[2-[2-[2,6-di(propan-2-yl)phenoxy]ethoxy]ethoxy]naphthalene
• CAS: 944936-14-5
• 化学式: C₄₂H₅₆O₆
• 分子量: 656.903
• InChiKey: LCXDUBSSRIZXCQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.7
• 重原子数：
  48
• 可旋转键数：
  20
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  55.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1,4-二(溴甲基)苯 、 1,5-Bis[2-[2-[2,6-di(propan-2-yl)phenoxy]ethoxy]ethoxy]naphthalene 、 1,1-[1,4-phenylenebis(methylene)]bis-4,4'-pyridylpiridinium bis(hexafluorophosphate) 在 ammonium hexafluorophosphate 作用下， 以 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 20.0 ℃ 、1000.01 MPa 条件下， 反应 72.0h， 以62%的产率得到
  参考文献：
  名称：

  Solid-state structures and superstructures of two charged donor–acceptor rotaxanes

  摘要：

  Two [2]rotaxanes and a [2]pseudorotaxane containing 1,5-dioxynaphthalene recognition sites located in the middle of their dumbbell and thread components, respectively, and encircled by single cyclobis(paraquat-p-phenylene) rings have been synthesized under template control and their solid-state (super)structures have been solved. The investigations revealed that the stoppers on the dumbbell components, the solvents, and the counterions can affect the conformations adopted by the [2]rotaxanes and [2]pseudorotaxane in the solid state. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.09.140
• 作为产物：
  描述：

  丙泊酚 、 1,5-bis[2-(hydroxyethoxy)ethoxy]naphthalene ditosylate 在 18-冠醚-6 、 potassium carbonate 、 lithium bromide 作用下， 以 乙腈 为溶剂， 反应 16.0h， 以78%的产率得到1,5-Bis[2-[2-[2,6-di(propan-2-yl)phenoxy]ethoxy]ethoxy]naphthalene
  参考文献：
  名称：

  Solid-state structures and superstructures of two charged donor–acceptor rotaxanes

  摘要：

  Two [2]rotaxanes and a [2]pseudorotaxane containing 1,5-dioxynaphthalene recognition sites located in the middle of their dumbbell and thread components, respectively, and encircled by single cyclobis(paraquat-p-phenylene) rings have been synthesized under template control and their solid-state (super)structures have been solved. The investigations revealed that the stoppers on the dumbbell components, the solvents, and the counterions can affect the conformations adopted by the [2]rotaxanes and [2]pseudorotaxane in the solid state. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.09.140

文献信息

• Solid-state structures and superstructures of two charged donor–acceptor rotaxanes
  作者：Yan-Li Zhao、Alexander K. Shveyd、J. Fraser Stoddart

  DOI：10.1016/j.tetlet.2010.09.140

  日期：2011.4

  Two [2]rotaxanes and a [2]pseudorotaxane containing 1,5-dioxynaphthalene recognition sites located in the middle of their dumbbell and thread components, respectively, and encircled by single cyclobis(paraquat-p-phenylene) rings have been synthesized under template control and their solid-state (super)structures have been solved. The investigations revealed that the stoppers on the dumbbell components, the solvents, and the counterions can affect the conformations adopted by the [2]rotaxanes and [2]pseudorotaxane in the solid state. (C) 2010 Elsevier Ltd. All rights reserved.