N,N,N',N',N'',N'',N''',N'''-octaethyl-6',6'''-dimethyl-6,6''-<bis<4,4'-bis(diethylcarbamoyl)-2,2'-bipyridine-6',6-diyl>bis(methyleneoxymethylene)>bis<2,2'-bipyridine>-4,4',4'',4'''-tetracarboxamide | 134842-56-1

• 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: N,N,N',N',N'',N'',N''',N'''-octaethyl-6',6'''-dimethyl-6,6''-<bis<4,4'-bis(diethylcarbamoyl)-2,2'-bipyridine-6',6-diyl>bis(methyleneoxymethylene)>bis<2,2'-bipyridine>-4,4',4'',4'''-tetracarboxamide
• 英文别名: N,N,N',N',N'',N'',N''',N'''-octaethyl-6',6'''-dimethyl-6,6''-{[oxybis(methylene)]bis[4,4'-bis(diethylcarbamoyl)-2,2'-bipyridine-6',6-diyl]bis(methyleneoxymethylene)}bis(2,2'-bipyridine)-4,4',4'',4'''-tetracarboxamide；2-[4-(diethylcarbamoyl)-6-[[4-(diethylcarbamoyl)-6-[4-(diethylcarbamoyl)-6-[[4-(diethylcarbamoyl)-6-[4-(diethylcarbamoyl)-6-[[4-(diethylcarbamoyl)-6-[4-(diethylcarbamoyl)-6-methylpyridin-2-yl]pyridin-2-yl]methoxymethyl]pyridin-2-yl]pyridin-2-yl]methoxymethyl]pyridin-2-yl]pyridin-2-yl]methoxymethyl]pyridin-2-yl]-N,N-diethyl-6-methylpyridine-4-carboxamide
• CAS: 134842-56-1
• 化学式: C₈₈H₁₁₄N₁₆O₁₁
• 分子量: 1571.97
• InChiKey: CVKWJEMXROZOFO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  115
• 可旋转键数：
  40
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  293
• 氢给体数：
  0
• 氢受体数：
  19

反应信息

• 作为产物：
  描述：

  6'-(bromomethyl)-N,N,N',N',N'',N'',N''',N'''-octaethyl-6'''-methyl-6,6''-bis<2,2'-bipyridine>-4,4',4'', 4'''-tetracarboxamide 、 N,N,N',N',N'',N'',N''',N'''-octaethyl-6'-(hydroxymethyl)-6'''-methyl-6,6''-bis<2,2'-bipyridine>-4,4',4'',4'''-tetracarboxamide 在 sodium hydride 作用下， 生成 N,N,N',N',N'',N'',N''',N'''-octaethyl-6',6'''-dimethyl-6,6''-<bis<4,4'-bis(diethylcarbamoyl)-2,2'-bipyridine-6',6-diyl>bis(methyleneoxymethylene)>bis<2,2'-bipyridine>-4,4',4'',4'''-tetracarboxamide
  参考文献：
  名称：

  非取代和4,4'-取代的寡联吡啶的配体链的螺旋自组装的合成。

  摘要：

  描述了一种合成螺旋金属配合物的含有2至5个2，2'-联吡啶亚基的寡联吡啶配体2 – 5的一般策略（sec方案）。两个未取代的母体链（一个轴承溃烂或酰胺官能团在联吡啶部分（的4,4'-位置系列）以及它们的衍生物b - d系列）已经获得。

  DOI：

  10.1002/hlca.19910740317

文献信息

• Synthesis of Unsubstituted and 4,4?-Substituted Oligobipyridines as Ligand Strands for Helicate Self-Assembly
  作者：Margaret M. Harding、Ulrich Koert、Jean-Marie Lehn、Annie Marquis-Rigault、Claude Piguet、Jay Siegel

  DOI：10.1002/hlca.19910740317

  日期：1991.5.2

  A general strategy for the synthesis of oligobipyridine ligands 2–5 containing from two to five 2,2′-bipyridine subunits, for helical metal complexes is described (sec Scheme). Both the unsubstituted parent strands (a series) as well as their derivatives bearing fester or amide functions in the 4,4′-positions of the bipyridine moieties (b–d series) have been obtained.

  描述了一种合成螺旋金属配合物的含有2至5个2，2'-联吡啶亚基的寡联吡啶配体2 – 5的一般策略（sec方案）。两个未取代的母体链（一个轴承溃烂或酰胺官能团在联吡啶部分（的4,4'-位置系列）以及它们的衍生物b - d系列）已经获得。