N,N'-bis<(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclodecin-16-yl)methyl>diethylene triamine | 161123-16-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N,N'-bis<(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclodecin-16-yl)methyl>diethylene triamine
• 英文别名: N,N'-bis[(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclodecin-16-yl)methyl]diethylene triamine；N'-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-ylmethyl)-N-[2-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-ylmethylamino)ethyl]ethane-1,2-diamine
• CAS: 161123-16-6
• 化学式: C₃₄H₅₃N₃O₁₀
• 分子量: 663.809
• InChiKey: ZZSBBZDOXVBPBX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  47.0
• 可旋转键数：
  10.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  128.39
• 氢给体数：
  3.0
• 氢受体数：
  13.0

反应信息

• 作为反应物：
  描述：

  ferrocenoyl chloride 、 N,N'-bis<(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclodecin-16-yl)methyl>diethylene triamine 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以2%的产率得到N,N'-bis[(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclodecin-16-yl)methyl]-N,N',N''-tris[ferroceneoxo]diethylenetriamine
  参考文献：
  名称：

  Towards conformationally dependent redox-responsive molecular switches. New polyferrocene bis benzo crown ether receptors

  摘要：

  New polyferrocene bis benzo-15-crown-5 ligands have been prepared and shown to form 1:1 intramolecular sandwich complexes with the potassium cation. Electrochemical investigations reveal that both receptors undergo small anodic perturbations of the respective ferrocene-ferrocenium redox couples in the presence of alkali metal cations.

  DOI：

  10.1016/0022-328x(94)05191-d
• 作为产物：
  描述：

  N,N'-bis<(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclodecin-16-yl)methylidene>diethylenetriamine 在 sodium tetrahydroborate 作用下， 以 乙腈 为溶剂， 以59%的产率得到N,N'-bis<(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclodecin-16-yl)methyl>diethylene triamine
  参考文献：
  名称：

  Towards conformationally dependent redox-responsive molecular switches. New polyferrocene bis benzo crown ether receptors

  摘要：

  New polyferrocene bis benzo-15-crown-5 ligands have been prepared and shown to form 1:1 intramolecular sandwich complexes with the potassium cation. Electrochemical investigations reveal that both receptors undergo small anodic perturbations of the respective ferrocene-ferrocenium redox couples in the presence of alkali metal cations.

  DOI：

  10.1016/0022-328x(94)05191-d

文献信息

• Design and synthesis of ionophores with multiple receptor sites: solution nuclear magnetic resonance studies of their interaction with chloride, sodium and potassium ions
  作者：Kenneth I. Kinnear、David P. Mousley、Ezzidin Arafa、Joyce C. Lockhart

  DOI：10.1039/dt9940003637

  日期：——

  Ionophores of the bis(crown ether) type, with polyamine linkers, examples of which are known to bind Simultaneously to a cation and its counter anion, have been prepared. One-pot reductive amination, used to couple a benzo-crown aldehyde with aliphatic (both linear and cyclic) and aromatic polyamines. proved to be the most efficient route. A strong inhibition of one synthetic route (amine benzylation) was observed. The competitive interaction between chloride and other anions for binding with the protonated ionophores was examined using Cl-35 NMR spectroscopy. Sandwich complexing of potassium contrasting with single-face complexation of sodium was demonstrated by C-13 NMR Spectroscopy