3,7,11,19,23,27-hexazapentacyclo[27.3.1.15,9.113,17.121,25]hexatriaconta-1(33),5(36),6,8,13(35),14,16,21,23,25(34),29,31-dodecaene-4,10,20,26-tetrone | 192518-55-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酰胺类
• 英文名称: 3,7,11,19,23,27-hexazapentacyclo[27.3.1.15,9.113,17.121,25]hexatriaconta-1(33),5(36),6,8,13(35),14,16,21,23,25(34),29,31-dodecaene-4,10,20,26-tetrone
• CAS: 192518-55-1
• 化学式: C₃₀H₂₆N₆O₄
• 分子量: 534.574
• InChiKey: HDRJZRYLZCTRRN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.51
• 重原子数：
  40.0
• 可旋转键数：
  0.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  142.18
• 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 、 3,7,11,19,23,27-hexazapentacyclo[27.3.1.15,9.113,17.121,25]hexatriaconta-1(33),5(36),6,8,13(35),14,16,21,23,25(34),29,31-dodecaene-4,10,20,26-tetrone 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：

  dibenzyl 5,5'-(((1,3-phenylenebis(methylene))bis(azanediyl))bis(carbonyl))dinicotinate 在 sodium hydroxide 、 (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， 生成 3,7,11,19,23,27-hexazapentacyclo[27.3.1.15,9.113,17.121,25]hexatriaconta-1(33),5(36),6,8,13(35),14,16,21,23,25(34),29,31-dodecaene-4,10,20,26-tetrone
  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