[2,5-Bis(bromomethyl)phenyl]methyl 3-pyrrol-1-ylpropanoate | 883564-50-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [2,5-Bis(bromomethyl)phenyl]methyl 3-pyrrol-1-ylpropanoate
• CAS: 883564-50-9
• 化学式: C₁₆H₁₇Br₂NO₂
• 分子量: 415.124
• InChiKey: FOGVFBYIDDLFIR-UHFFFAOYSA-N

物化性质

• 沸点：
  481.4±45.0 °C(Predicted)
• 密度：
  1.52±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  21
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  31.2
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  [2,5-Bis(bromomethyl)phenyl]methyl 3-pyrrol-1-ylpropanoate 、 N-甲基-4,4'-联吡啶鎓碘化物 在 ammonium hexafluorophosphate 作用下， 以 N,N-二甲基甲酰胺 、 水 为溶剂， 反应 3.0h， 以92%的产率得到
  参考文献：
  名称：

  A Tuneable Self-Complexing Molecular Switch

  摘要：

  A new self-complexing donor-acceptor system has been synthesized that has the propensity to undergo intramolecular decomplexation under thermal and electrochemical perturbation and upon addition of a competitive guest for the cyclophane's cavity.

  DOI：

  10.1021/ol0602553
• 作为产物：
  描述：

  2,5-bis(bromomethyl)benzoate 在 4-二甲氨基吡啶 、 二异丁基氢化铝 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 6.0h， 生成 [2,5-Bis(bromomethyl)phenyl]methyl 3-pyrrol-1-ylpropanoate
  参考文献：
  名称：

  A Tuneable Self-Complexing Molecular Switch

  摘要：

  A new self-complexing donor-acceptor system has been synthesized that has the propensity to undergo intramolecular decomplexation under thermal and electrochemical perturbation and upon addition of a competitive guest for the cyclophane's cavity.

  DOI：

  10.1021/ol0602553

文献信息

• The synthesis of a pyrrole-functionalized cyclobis(paraquat-p-phenylene) derivative and its corresponding [2]rotaxane and [2]catenane and their subsequent deposition onto an electrode surface
  作者：Graeme Cooke、Lee M. Daniels、Francine Cazier、James F. Garety、Shanika Gunatilaka Hewage、Andrew Parkin、Gouher Rabani、Vincent M. Rotello、Chick C. Wilson、Patrice Woisel

  DOI：10.1016/j.tet.2007.08.027

  日期：2007.11

  We report the convenient synthesis of a pyrrole-functionalized tetracationic cyclophane, [2]rotaxane, and [2]catenane. X-ray crystallography has confirmed the interlocked structure of the catenane. We have investigated the solution properties of these systems using solution electrochemistry, NMR, and UV-vis spectroscopy. We have also demonstrated that it is possible to immobilize these systems onto a platinum working electrode surface. We have shown that films of the cyclophane have the ability to undergo complexation with a di-alkyloxynaphthalene derivative. (c) 2007 Elsevier Ltd. All rights reserved.