3,7,11,18,22,26-Hexazapentacyclo[26.2.2.213,16.15,9.120,24]hexatriaconta-1(31),5(36),6,8,13,15,20,22,24(33),28(32),29,34-dodecaene-4,10,19,25-tetrone | 169204-05-1

• 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: 3,7,11,18,22,26-Hexazapentacyclo[26.2.2.213,16.15,9.120,24]hexatriaconta-1(31),5(36),6,8,13,15,20,22,24(33),28(32),29,34-dodecaene-4,10,19,25-tetrone
• 英文别名: 3,7,11,18,22,26-hexazapentacyclo[26.2.2.213,16.15,9.120,24]hexatriaconta-1(31),5(36),6,8,13,15,20,22,24(33),28(32),29,34-dodecaene-4,10,19,25-tetrone
• CAS: 169204-05-1
• 化学式: C₃₀H₂₆N₆O₄
• 分子量: 534.574
• InChiKey: YYPCQSOLOCAJTK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  40
• 可旋转键数：
  0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  142
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  溴代十二烷 、 3,7,11,18,22,26-Hexazapentacyclo[26.2.2.213,16.15,9.120,24]hexatriaconta-1(31),5(36),6,8,13,15,20,22,24(33),28(32),29,34-dodecaene-4,10,19,25-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：

  1,4-苯二甲胺 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 48.0h， 生成 3,7,11,18,22,26-Hexazapentacyclo[26.2.2.213,16.15,9.120,24]hexatriaconta-1(31),5(36),6,8,13,15,20,22,24(33),28(32),29,34-dodecaene-4,10,19,25-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

文献信息

• Dethreading of Tetraalkylsuccinamide-Based [2]Rotaxanes for Preparing Benzylic Amide Macrocycles
  作者：Alberto Martinez-Cuezva、Leticia V. Rodrigues、Cristian Navarro、Fernando Carro-Guillen、Lilian Buriol、Clarissa P. Frizzo、Marcos A. P. Martins、Mateo Alajarin、Jose Berna

  DOI：10.1021/acs.joc.5b01651

  日期：2015.10.16

  formation and its further dethreading, has been exploited for preparing benzylic amide macrocycles enhancing, in most cases, the results of the classical (2 + 2) condensation and other reported stepwise syntheses. The kinetics of the dethreading process is fairly sensitive to the electronic effects of the substituents on the isophthalamide unit or to the electronic nature of the pyridine rings through

  本文报道了一系列带有苄基酰胺大环的基于琥珀酰胺的[2]轮烷的脱螺纹。在快速真空热解，常规加热或微波辐照下，这些转化定量进行。研究螺纹末端和大环腔内的塞子的大小互补性，使我们能够建立最佳的取代基，以实现从互锁前体中挤出螺纹。多种1为了评估脱线过程的速率常数，轮烷的半衰期以及温度和溶剂对这些过程的影响，进行了1 H NMR动力学实验。使用二丁基氨基基团作为塞子，可以合理的收率得到轮烷的前体，并允许轮烷的定量脱脂。已经开发了包括轮烷形成及其进一步脱线在内的整个过程，用于制备苄基酰胺大环化合物，在大多数情况下，这些化合物可增强经典（2 + 2）缩合反应和其他报道的逐步合成的结果。
• Johnston, Andrew G.; Leigh, David A.; Nezhat, Lida, Angewandte Chemie, 1995, vol. 107, # 11, p. 1327 - 1331
  作者：Johnston, Andrew G.、Leigh, David A.、Nezhat, Lida、Smart, John P.、Deegan, Michael D.

  DOI：——

  日期：——
• Syntheses and redox behavior of novel cyclic hosts having multiple redox centers of NAD+ analogue
  作者：Yasuhisa Kuroda、Hidenori Seshimo、Toshio Kondo、Masana Shiba、Hisanobu Ogoshi

  DOI：10.1016/s0040-4039(97)00784-3

  日期：1997.6

  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.