1-((benzo-15-crown-5)-4'-yl)-[4,4'-bipyridin]-1-ium

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 1-((benzo-15-crown-5)-4'-yl)-[4,4'-bipyridin]-1-ium
• 英文别名: N-(4'-benzo-15-crown-5)-4,4'-bipyridinium；1-(2,5,8,11,14-Pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-4-pyridin-4-ylpyridin-1-ium；1-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-4-pyridin-4-ylpyridin-1-ium
• 化学式: C₂₄H₂₇N₂O₅
• 分子量: 423.489
• InChiKey: KTFUDAGGIKCWHR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  31
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  62.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1-((benzo-15-crown-5)-4'-yl)-[4,4'-bipyridin]-1-ium 在 sodium 作用下， 以 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Guest-responsive intramolecular charge transfer of viologen–crown ether conjugate

  摘要：

  Viologen-benzocrown ether conjugate (1) was prepared, in which a phenyl unit in benzocrown ether was incorporated into the nitrogen atom of a bypiridinium unit through a sigma bond. 1 showed a yellow color associated with an intramolecular charge transfer (CT) that responds to alkali and alkaline earth metal ions, especially to Ca2+. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.07.029
• 作为产物：
  描述：

  4'-氨基苯并-15-冠-5-醚 、 1-(2,4-dinitrophenyl)-[4,4'-bipyridin]-1-ium 以 乙醇 、 水 为溶剂， 生成 1-((benzo-15-crown-5)-4'-yl)-[4,4'-bipyridin]-1-ium
  参考文献：
  名称：

  Guest-responsive intramolecular charge transfer of viologen–crown ether conjugate

  摘要：

  Viologen-benzocrown ether conjugate (1) was prepared, in which a phenyl unit in benzocrown ether was incorporated into the nitrogen atom of a bypiridinium unit through a sigma bond. 1 showed a yellow color associated with an intramolecular charge transfer (CT) that responds to alkali and alkaline earth metal ions, especially to Ca2+. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.07.029

文献信息

• Colorimetric Chemosensor for Barium Metal Ions Using Tris(bipyridinium–crown ether) Conjugate
  作者：Haocheng Guo、Tetsuo Kuwabara

  DOI：10.1246/cl.2013.194

  日期：2013.2.5

  A new guest-responsive color-change host, 1, in which three benzocrown ethers modified with bipyridinium are connected through the mesitylene unit, was synthesized to investigate its ion-recognition ability. 1 exhibited a yellow color associated with an intramolecular charge-transfer (ICT) absorption, which faded upon the addition of alkali and alkaline earth metal ions. Ba2+ was detected by 1 with high sensitivity.

  为了研究其离子识别能力，我们合成了一种新的客体响应变色宿主 1，其中三个用联吡啶修饰的苯并冠醚通过间二甲苯单元连接在一起。1 显示出与分子内电荷转移（ICT）吸收相关的黄色，在加入碱金属和碱土金属离子后，黄色会褪去。1 对 Ba2+ 的检测灵敏度很高。