3,5,9,11-tetraaza-1,7(3,5)-dipyridina-4,10(1,2)-dibenzenacyclododecaphane-2,6,8,12-tetraone | 192518-54-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 3,5,9,11-tetraaza-1,7(3,5)-dipyridina-4,10(1,2)-dibenzenacyclododecaphane-2,6,8,12-tetraone
• CAS: 192518-54-0
• 化学式: C₂₆H₁₈N₆O₄
• 分子量: 478.467
• InChiKey: DWMDJTDEDRXOHI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.65
• 重原子数：
  36.0
• 可旋转键数：
  0.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  157.22
• 氢给体数：
  4.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  溴代十二烷 、 3,5,9,11-tetraaza-1,7(3,5)-dipyridina-4,10(1,2)-dibenzenacyclododecaphane-2,6,8,12-tetraone 以 N,N-二甲基甲酰胺 为溶剂， 反应 168.0h， 生成
  参考文献：
  名称：

  Syntheses and redox behavior of novel cyclic hosts having multiple redox centers of NAD+ analogue

  摘要：

  A new series of cyclophanes having 3,5-dicarbamoylpyridinium moieties were synthesized by the stepwise reactions starting from half protected compounds. The one-electron reduction potentials of these new cyclophane type NAD(+) analogues are determined by the cyclic voltammetric method. The results indicate that the reduction potentials are primarily regulated by the through-bond mechanism. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)00784-3
• 作为产物：
  描述：

  N-Boc-1,2-亚苯基二胺 在 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 、 三乙胺 、 三氟乙酸 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 51.0h， 生成 3,5,9,11-tetraaza-1,7(3,5)-dipyridina-4,10(1,2)-dibenzenacyclododecaphane-2,6,8,12-tetraone
  参考文献：
  名称：

  Syntheses and redox behavior of novel cyclic hosts having multiple redox centers of NAD+ analogue

  摘要：

  A new series of cyclophanes having 3,5-dicarbamoylpyridinium moieties were synthesized by the stepwise reactions starting from half protected compounds. The one-electron reduction potentials of these new cyclophane type NAD(+) analogues are determined by the cyclic voltammetric method. The results indicate that the reduction potentials are primarily regulated by the through-bond mechanism. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)00784-3