4-[2-[4-(dimethylamino)phenyl]ethenyl]-1-[2-(4-nitrophenoxy)ethyl]pyridinium bromide | 1365707-94-3

• 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: 4-[2-[4-(dimethylamino)phenyl]ethenyl]-1-[2-(4-nitrophenoxy)ethyl]pyridinium bromide
• CAS: 1365707-94-3
• 化学式: Br*C₂₃H₂₄N₃O₃
• 分子量: 470.366
• InChiKey: UAXHWANPELSBGK-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  30.0
• 可旋转键数：
  8.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  59.49
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  4-[2-[4-(dimethylamino)phenyl]ethenyl]-1-[2-(4-nitrophenoxy)ethyl]pyridinium bromide 在 氢溴酸 、 铁粉 作用下， 以 乙醇 、 水 为溶剂， 反应 4.0h， 以51%的产率得到4-[2-[4-(dimethylamino)phenyl]ethenyl]-1-[2-(4-aminophenoxy)ethyl]pyridinium bromide
  参考文献：
  名称：

  Enhancing photostability of cyanine dye by cucurbituril encapsulation

  摘要：

  A linear cyanine dye (LDP) guest comprising two binding sites, one 4-[2-[4-(dimethylamino)phenyl]ethenyl]pyridinium group and one p-aminophenoxy ethylene group, was synthesized and proved could form inclusion complexes with cucurbit[7]uril (CB[7]) in aqueous solution. A partially encapsulated ([2]pseudorotaxane) state in which one CB[7] ring moved fast between the two binding sites was originally detected and was then transferred into a full encapsulated ([3]pseudorotaxane) state where two CB[7] macrocycles resided on both binding sites with the continuously adding of CB[7] to LDP. The two binding constants K-1 and K-2 were determined as (6.29 +/- 0.88) x 10(4) M-1 and (1.58 +/- 0.17) x 10(4) M-1, respectively. Compared with the free LDP, the photostability of the [3]pseudorotaxane is found been distinctively promoted, while that of the [2]pseudorotaxane state is hardly improved. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2012.01.022
• 作为产物：
  描述：

  4-甲基吡啶 在 哌啶 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 生成 4-[2-[4-(dimethylamino)phenyl]ethenyl]-1-[2-(4-nitrophenoxy)ethyl]pyridinium bromide
  参考文献：
  名称：

  Enhancing photostability of cyanine dye by cucurbituril encapsulation

  摘要：

  A linear cyanine dye (LDP) guest comprising two binding sites, one 4-[2-[4-(dimethylamino)phenyl]ethenyl]pyridinium group and one p-aminophenoxy ethylene group, was synthesized and proved could form inclusion complexes with cucurbit[7]uril (CB[7]) in aqueous solution. A partially encapsulated ([2]pseudorotaxane) state in which one CB[7] ring moved fast between the two binding sites was originally detected and was then transferred into a full encapsulated ([3]pseudorotaxane) state where two CB[7] macrocycles resided on both binding sites with the continuously adding of CB[7] to LDP. The two binding constants K-1 and K-2 were determined as (6.29 +/- 0.88) x 10(4) M-1 and (1.58 +/- 0.17) x 10(4) M-1, respectively. Compared with the free LDP, the photostability of the [3]pseudorotaxane is found been distinctively promoted, while that of the [2]pseudorotaxane state is hardly improved. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2012.01.022