19,19',19'',19'''-((benzene-1,2,4,5-tetrayltetrakis(azaneylylidene))tetrakis(methaneylylidene))tetrakis(2,3,5,6,8,9,11,12,14,15-decahydrobenzo[b][1,4,7,10,13,16]hexaoxacyclooctadecin-18-ol) | 1290041-48-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 19,19',19'',19'''-((benzene-1,2,4,5-tetrayltetrakis(azaneylylidene))tetrakis(methaneylylidene))tetrakis(2,3,5,6,8,9,11,12,14,15-decahydrobenzo[b][1,4,7,10,13,16]hexaoxacyclooctadecin-18-ol)
• CAS: 1290041-48-3
• 化学式: C₇₄H₉₈N₄O₂₈
• 分子量: 1491.6
• InChiKey: ABGYRNYMTJNPON-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.86
• 重原子数：
  106.0
• 可旋转键数：
  8.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  351.88
• 氢给体数：
  4.0
• 氢受体数：
  32.0

反应信息

• 作为产物：
  描述：

  1,2,4,5-benzenetetraamine tetrahydrochloride 、 4'-hydroxy-5'-formyl-benzo-15-crown-5 在 三乙醇胺 作用下， 以 乙醇 为溶剂， 反应 24.0h， 以72%的产率得到19,19',19'',19'''-((benzene-1,2,4,5-tetrayltetrakis(azaneylylidene))tetrakis(methaneylylidene))tetrakis(2,3,5,6,8,9,11,12,14,15-decahydrobenzo[b][1,4,7,10,13,16]hexaoxacyclooctadecin-18-ol)
  参考文献：
  名称：

  Supramolecular assemblies of crown-substituted dinickel and dicobalt complexes with guest cation binding

  摘要：

  A new macrocyclic ligand (L1) having four crown ether moieties at the peripheral position was synthesised by a conventional Schiff-base condensation reaction. The corresponding dinickel (1) and dicobalt (2) complexes formed a unique face-to-face dimerised structure by complexation with a Cs+ ion, which was characterised by 1H NMR, UV-vis and electrospray ionisation (ESI)-MS. Multi-sandwich structures consist of a 2:1 interaction of the benzo-18-crown-6 ether with the Cs+ ion affording a significantly high overall formation constant (Kall=25.9 +/- 0.9 at 298K). The redox behaviour of the assembled structure of the dicobalt complex was investigated by cyclic voltammetry. In the dimerised structure, two sequential reductions ascribed to the CoIICoII/CoIICoI and CoIICoI/CoICoI couples were observed at -1.13V (E1) and -1.36V (E2) vs. Ag/AgCl, and both potentials were separated by E=E1-E2=0.23V. A mixed valence state (CoIICoI) was stabilised in the complex with the comproportionation constant Kcom=7.7x103 at 298K.

  DOI：

  10.1080/10610278.2010.514910

文献信息

• Supramolecular assemblies of crown-substituted dinickel and dicobalt complexes with guest cation binding
  作者：Hisashi Shimakoshi、Daisuke Maeda、Yoshio Hisaeda

  DOI：10.1080/10610278.2010.514910

  日期：2011.1.1

  A new macrocyclic ligand (L1) having four crown ether moieties at the peripheral position was synthesised by a conventional Schiff-base condensation reaction. The corresponding dinickel (1) and dicobalt (2) complexes formed a unique face-to-face dimerised structure by complexation with a Cs+ ion, which was characterised by 1H NMR, UV-vis and electrospray ionisation (ESI)-MS. Multi-sandwich structures consist of a 2:1 interaction of the benzo-18-crown-6 ether with the Cs+ ion affording a significantly high overall formation constant (Kall=25.9 +/- 0.9 at 298K). The redox behaviour of the assembled structure of the dicobalt complex was investigated by cyclic voltammetry. In the dimerised structure, two sequential reductions ascribed to the CoIICoII/CoIICoI and CoIICoI/CoICoI couples were observed at -1.13V (E1) and -1.36V (E2) vs. Ag/AgCl, and both potentials were separated by E=E1-E2=0.23V. A mixed valence state (CoIICoI) was stabilised in the complex with the comproportionation constant Kcom=7.7x103 at 298K.