12,14,26,28,40,42-Hexamethoxy-5,7,19,21,33,35-hexakis(undec-10-enoxy)-2,10,16,24,30,38-hexazaheptacyclo[37.3.1.14,8.111,15.118,22.125,29.132,36]octatetraconta-1(43),2,4(48),5,7,9,11(47),12,14,16,18(46),19,21,23,25,27,29(45),30,32,34,36(44),37,39,41-tetracosaene-3,9,17,23,31,37-hexol | 1178881-99-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 12,14,26,28,40,42-Hexamethoxy-5,7,19,21,33,35-hexakis(undec-10-enoxy)-2,10,16,24,30,38-hexazaheptacyclo[37.3.1.14,8.111,15.118,22.125,29.132,36]octatetraconta-1(43),2,4(48),5,7,9,11(47),12,14,16,18(46),19,21,23,25,27,29(45),30,32,34,36(44),37,39,41-tetracosaene-3,9,17,23,31,37-hexol
• 英文别名: 12,14,26,28,40,42-hexamethoxy-5,7,19,21,33,35-hexakis(undec-10-enoxy)-2,10,16,24,30,38-hexazaheptacyclo[37.3.1.14,8.111,15.118,22.125,29.132,36]octatetraconta-1(43),2,4(48),5,7,9,11(47),12,14,16,18(46),19,21,23,25,27,29(45),30,32,34,36(44),37,39,41-tetracosaene-3,9,17,23,31,37-hexol
• CAS: 1178881-99-6
• 化学式: C₁₁₄H₁₆₂N₆O₁₈
• 分子量: 1904.57
• InChiKey: MMYDHOCMCVKKKD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  33.8
• 重原子数：
  138
• 可旋转键数：
  72
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  310
• 氢给体数：
  6
• 氢受体数：
  24

反应信息

• 作为反应物：
  描述：

  12,14,26,28,40,42-Hexamethoxy-5,7,19,21,33,35-hexakis(undec-10-enoxy)-2,10,16,24,30,38-hexazaheptacyclo[37.3.1.14,8.111,15.118,22.125,29.132,36]octatetraconta-1(43),2,4(48),5,7,9,11(47),12,14,16,18(46),19,21,23,25,27,29(45),30,32,34,36(44),37,39,41-tetracosaene-3,9,17,23,31,37-hexol 、 cesium picrate 以 氯仿 为溶剂， 反应 12.0h， 生成
  参考文献：
  名称：

  Strong Aggregation and Directional Assembly of Aromatic Oligoamide Macrocycles

  摘要：

  Aromatic oligoamide macrocycles exhibit strong preference for highly directional association. Aggregation happens in both nonpolar and polar solvents but is weakened as solvent polarity increases. The strong, directional assembly is rationalized by the cooperative action of dipole-dipole and pi-pi stacking interactions, leading to long nanotubular assemblies that are confirmed by SEM, TEM, AFM, and XRD. The persistent nanotubular assemblies contain non-collapsible hydrophilic internal pores that mediate highly efficient ion transport observed with these macrocycles and serve as cylindrical sites for accommodating guests such as metal ions.

  DOI：

  10.1021/ja208548b
• 作为产物：
  描述：

  4,6-bis(undec-10-en-1-yloxy)isophthaloyl dichloride 、 4,6-二甲氧基苯-1,3-二胺 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以65%的产率得到12,14,26,28,40,42-Hexamethoxy-5,7,19,21,33,35-hexakis(undec-10-enoxy)-2,10,16,24,30,38-hexazaheptacyclo[37.3.1.14,8.111,15.118,22.125,29.132,36]octatetraconta-1(43),2,4(48),5,7,9,11(47),12,14,16,18(46),19,21,23,25,27,29(45),30,32,34,36(44),37,39,41-tetracosaene-3,9,17,23,31,37-hexol
  参考文献：
  名称：

  Improving the Efficiency of Forming ‘Unfavorable’ Products: Eight-Residue Macrocycles from Folded Aromatic Oligoamide Precursors

  摘要：

  基于芳香族低聚酰胺前体的环化，合成了由八个元连接苯残基组成的低聚酰胺大环，这些前体的折叠骨架通过三中心氢键刚性化。使用 EDCI/HOBt 作为偶联试剂，以五元二胺和三元二酸缩合为基础的另一条路线提供了环状八聚体，收率为 75%。

  DOI：

  10.1055/s-0029-1217173