8,11,14,17,20-pentaoxa-5,23-diaza-tricyclo[20.3.1.1^2,6]heptacosa-1(25),2,4,6(27),22(26),23-hexaene-7,21-dione | 854203-92-2

• 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: 8,11,14,17,20-pentaoxa-5,23-diaza-tricyclo[20.3.1.1^2,6]heptacosa-1(25),2,4,6(27),22(26),23-hexaene-7,21-dione
• 英文别名: 8,11,14,17,20-Pentaoxa-5,23-diazatricyclo[20.3.1.12,6]heptacosa-1(26),2(27),3,5,22,24-hexaene-7,21-dione
• CAS: 854203-92-2
• 化学式: C₂₀H₂₂N₂O₇
• 分子量: 402.404
• InChiKey: OWKBLLGGDIJMKQ-UHFFFAOYSA-N

物化性质

• 沸点：
  697.8±55.0 °C(Predicted)
• 密度：
  1.214±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  29
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  106
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  8,11,14,17,20-pentaoxa-5,23-diaza-tricyclo[20.3.1.1^2,6]heptacosa-1(25),2,4,6(27),22(26),23-hexaene-7,21-dione 、 1,3-丙烷磺内酯 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.5h， 以42%的产率得到5,23-di(3-sulfonatopropyl)-8,11,14,17,20-pentaoxa-5,23-diazonia-tricyclo[20.3.1.1^2,6]heptacosa-1(25),2,4,6(27),22(26),23-hexaene-7,21-dione
  参考文献：
  名称：

  Synthesis of Crown-Ester-Bipyridines and Crown-Ester-Viologens

  摘要：

  Six novel 4,4'-bipyridine-crown-esters, derived from [4,4']bipyridinyl-3,3'-dicarboxylic acid, [4,4']bipyridinyl-2,2'-dicarboxylic acid and [4,4']bipyridinyl-2,2',6,6'-tetra-carboxylic acid were synthesized employing a procedure closely related to the 'cesium carbonate method'. The 4,4'-bipyridine-crown-esters differ in their substitution positions of the aromatic bipyridine-units, as well as in the geometric extensions of their crown-ester moieties. Addition of 1,3-propane sultone to the 4,4'-bipyridine-crown-esters resulted in five novel propanesultonated 4,4'-bipyridine-crown-esteiviologens.

  DOI：

  10.1055/s-2005-861829
• 作为产物：
  描述：

  2,2’-二甲基-4,4’-联吡啶 在 barium dihydroxide 、 potassium permanganate 、 苄基三乙基氯化铵 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 144.0h， 生成 8,11,14,17,20-pentaoxa-5,23-diaza-tricyclo[20.3.1.1^2,6]heptacosa-1(25),2,4,6(27),22(26),23-hexaene-7,21-dione
  参考文献：
  名称：

  Synthesis of Crown-Ester-Bipyridines and Crown-Ester-Viologens

  摘要：

  Six novel 4,4'-bipyridine-crown-esters, derived from [4,4']bipyridinyl-3,3'-dicarboxylic acid, [4,4']bipyridinyl-2,2'-dicarboxylic acid and [4,4']bipyridinyl-2,2',6,6'-tetra-carboxylic acid were synthesized employing a procedure closely related to the 'cesium carbonate method'. The 4,4'-bipyridine-crown-esters differ in their substitution positions of the aromatic bipyridine-units, as well as in the geometric extensions of their crown-ester moieties. Addition of 1,3-propane sultone to the 4,4'-bipyridine-crown-esters resulted in five novel propanesultonated 4,4'-bipyridine-crown-esteiviologens.

  DOI：

  10.1055/s-2005-861829