7,8,10,11,13,14-hexahydro-6,9,12,15-tetraoxa-3,18-diaza-dibenzo[a,c]cyclohexadecene-5,16-dione | 854203-94-4

• 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: 7,8,10,11,13,14-hexahydro-6,9,12,15-tetraoxa-3,18-diaza-dibenzo[a,c]cyclohexadecene-5,16-dione
• 英文别名: 9,12,15,18-Tetraoxa-5,22-diazatricyclo[18.4.0.02,7]tetracosa-1(20),2(7),3,5,21,23-hexaene-8,19-dione
• CAS: 854203-94-4
• 化学式: C₁₈H₁₈N₂O₆
• 分子量: 358.351
• InChiKey: CJHYONNPGWNADQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  26
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  96.8
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  7,8,10,11,13,14-hexahydro-6,9,12,15-tetraoxa-3,18-diaza-dibenzo[a,c]cyclohexadecene-5,16-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3,18-di(3-sulfonatopropyl)-7,8,10,11,13,14-hexahydro-6,9,12,15-tetraoxa-3,18-diazonia-dibenzo[a,c]cyclohexadecene-5,16-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：

  4-溴-3-甲基吡啶 在 barium dihydroxide 、 potassium permanganate 、 苄基三乙基氯化铵 、 三苯基膦 、 nickel dichloride 、 锌 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 146.0h， 生成 7,8,10,11,13,14-hexahydro-6,9,12,15-tetraoxa-3,18-diaza-dibenzo[a,c]cyclohexadecene-5,16-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