dibenzyl 5,5'-(((1,3-phenylenebis(methylene))bis(azanediyl))bis(carbonyl))dinicotinate | 192518-52-8

• 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: dibenzyl 5,5'-(((1,3-phenylenebis(methylene))bis(azanediyl))bis(carbonyl))dinicotinate
• CAS: 192518-52-8
• 化学式: C₃₆H₃₀N₄O₆
• 分子量: 614.657
• InChiKey: IHJUGCPNYQDBGR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.05
• 重原子数：
  46.0
• 可旋转键数：
  12.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  136.58
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  dibenzyl 5,5'-(((1,3-phenylenebis(methylene))bis(azanediyl))bis(carbonyl))dinicotinate 在 sodium hydroxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 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：

  间苯二甲胺 、 5-[(benzyloxy)-carbonyl]-nicotinic acid 在 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以54%的产率得到dibenzyl 5,5'-(((1,3-phenylenebis(methylene))bis(azanediyl))bis(carbonyl))dinicotinate
  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