2-(2-(2-(ethyl(phenyl)amino)ethoxy)ethoxy)ethyl 4-toluenesulfonate | 1047646-67-2

• 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-(2-(2-(ethyl(phenyl)amino)ethoxy)ethoxy)ethyl 4-toluenesulfonate
• CAS: 1047646-67-2
• 化学式: C₂₁H₂₉NO₅S
• 分子量: 407.531
• InChiKey: ZLRJJCJVKIJLPS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.26
• 重原子数：
  28.0
• 可旋转键数：
  13.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  65.07
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  2-(2-(2-(ethyl(phenyl)amino)ethoxy)ethoxy)ethyl 4-toluenesulfonate 在 sodium azide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以100%的产率得到N-(2-(2-(2-azidoethoxy)ethoxy)ethyl)-N-ethylaniline
  参考文献：
  名称：

  Synthesis and Photophysical Investigation of Squaraine Rotaxanes by “Clicked Capping”

  摘要：

  Pseudorotaxane complexes of squaraine dyes and tetralactam macrocycles are converted into permanently interlocked rotaxane structures using copper-catalyzed and copper-free cycloaddition reactions with bulky stopper groups. The photophysical properties of the encapsulated squaraine depend on the structure of the macrocycle. In one case, squaraine rotaxanes are produced in near-quantitative yields and with intense near-IR fluorescence. In another case, squaraine fluorescence is greatly diminished upon macrocyclic encapsulation but the signal can be restored by dye displacement with anions.

  DOI：

  10.1021/ol801189a
• 作为产物：
  描述：

  2-(2-(2-(ethyl(phenyl)amino)ethoxy)ethoxy)ethanol 、 对甲苯磺酰氯 在 吡啶 作用下， 以94%的产率得到2-(2-(2-(ethyl(phenyl)amino)ethoxy)ethoxy)ethyl 4-toluenesulfonate
  参考文献：
  名称：

  Synthesis and Photophysical Investigation of Squaraine Rotaxanes by “Clicked Capping”

  摘要：

  Pseudorotaxane complexes of squaraine dyes and tetralactam macrocycles are converted into permanently interlocked rotaxane structures using copper-catalyzed and copper-free cycloaddition reactions with bulky stopper groups. The photophysical properties of the encapsulated squaraine depend on the structure of the macrocycle. In one case, squaraine rotaxanes are produced in near-quantitative yields and with intense near-IR fluorescence. In another case, squaraine fluorescence is greatly diminished upon macrocyclic encapsulation but the signal can be restored by dye displacement with anions.

  DOI：

  10.1021/ol801189a