8,11,14,17,29,32,35,38-octaoxahexacyclo[37.2.2.2^4,7.1^18,22.1^24,28.0^21,25]heptatetraconta-1(41),2,4,6,18(45),19,21,24,26,28(44),39,42,46-tridecaen-23-one | 1415251-54-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: 8,11,14,17,29,32,35,38-octaoxahexacyclo[37.2.2.2^4,7.1^18,22.1^24,28.0^21,25]heptatetraconta-1(41),2,4,6,18(45),19,21,24,26,28(44),39,42,46-tridecaen-23-one
• 英文别名: 8,11,14,17,29,32,35,38-octaoxahexacyclo[37.2.2.24,7.118,22.124,28.021,25]heptatetraconta-1(42),2,4,6,18(45),19,21,24,26,28(44),39(43),40,46-tridecaen-23-one
• CAS: 1415251-54-5
• 化学式: C₃₉H₄₀O₉
• 分子量: 652.741
• InChiKey: MMLIVMKHIDPTAS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.36
• 重原子数：
  48.0
• 可旋转键数：
  0.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  90.91
• 氢给体数：
  0.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  8,11,14,17,29,32,35,38-octaoxahexacyclo[37.2.2.2^4,7.1^18,22.1^24,28.0^21,25]heptatetraconta-1(41),2,4,6,18(45),19,21,24,26,28(44),39,42,46-tridecaen-23-one 、 N,N'-dimethyl-4,4'-bipyridinium dihexafluorophosphate 在 3-硝基苯甲醇 作用下， 生成
  参考文献：
  名称：

  Synthesis and properties of new fluorenonocrownophanes having a stilbene fragment and their reaction with paraquat

  摘要：

  New crownophanes containing 2,7-dioxyfluorenone and 4,4'-dioxystilbene fragments linked through di-, three, tetra-, and pentaethylene glycol linkers were synthesized. The formation of pseudorotaxanetype host-guest complexes in reactions of these crownophanes with 1,1'-dimethyl-4,4'-bipyridinium dication was detected by fast atom bombardment mass spectrometry, H-1 NMR, and electron spectroscopy.

  DOI：

  10.1134/s1070428012100168
• 作为产物：
  描述：

  二苯乙烯-4,4’-二醇 、 2-{2-{2-{{7-{2-{2-{2-{[(4-methylphenyl)sulfonyl]oxy}ethoxy}ethoxy}ethoxy}-9-oxo-9H-fluoren-2-yl}oxy}ethoxy}ethoxy}ethyl 4-methylbenzenesulfonate 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 50.0h， 以31%的产率得到8,11,14,17,29,32,35,38-octaoxahexacyclo[37.2.2.2^4,7.1^18,22.1^24,28.0^21,25]heptatetraconta-1(41),2,4,6,18(45),19,21,24,26,28(44),39,42,46-tridecaen-23-one
  参考文献：
  名称：

  Synthesis and properties of new fluorenonocrownophanes having a stilbene fragment and their reaction with paraquat

  摘要：

  New crownophanes containing 2,7-dioxyfluorenone and 4,4'-dioxystilbene fragments linked through di-, three, tetra-, and pentaethylene glycol linkers were synthesized. The formation of pseudorotaxanetype host-guest complexes in reactions of these crownophanes with 1,1'-dimethyl-4,4'-bipyridinium dication was detected by fast atom bombardment mass spectrometry, H-1 NMR, and electron spectroscopy.

  DOI：

  10.1134/s1070428012100168

文献信息

• Synthesis and properties of new fluorenonocrownophanes having a stilbene fragment and their reaction with paraquat
  作者：A. Yu. Lyapunov、T. I. Kirichenko、E. Yu. Kulygina、N. G. Luk’yanenko

  DOI：10.1134/s1070428012100168

  日期：2012.10

  New crownophanes containing 2,7-dioxyfluorenone and 4,4'-dioxystilbene fragments linked through di-, three, tetra-, and pentaethylene glycol linkers were synthesized. The formation of pseudorotaxanetype host-guest complexes in reactions of these crownophanes with 1,1'-dimethyl-4,4'-bipyridinium dication was detected by fast atom bombardment mass spectrometry, H-1 NMR, and electron spectroscopy.