3-(6,7,9,10,12,13,15,16-Octahydro-5,8,11,14,17-pentaoxa-benzocyclopentadecen-2-ylazo)-6,7,9,10,12,13,15,16-octahydro-5,8,11,14,17-pentaoxa-benzocyclopentadecen-2-ol | 206558-95-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 3-(6,7,9,10,12,13,15,16-Octahydro-5,8,11,14,17-pentaoxa-benzocyclopentadecen-2-ylazo)-6,7,9,10,12,13,15,16-octahydro-5,8,11,14,17-pentaoxa-benzocyclopentadecen-2-ol
• CAS: 206558-95-4
• 化学式: C₂₈H₃₈N₂O₁₁
• 分子量: 578.617
• InChiKey: LVVCUIOWBRFDPE-QVIHXGFCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.45
• 重原子数：
  41.0
• 可旋转键数：
  2.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  137.25
• 氢给体数：
  1.0
• 氢受体数：
  13.0

反应信息

• 作为反应物：
  描述：

  硬脂基溴 、 3-(6,7,9,10,12,13,15,16-Octahydro-5,8,11,14,17-pentaoxa-benzocyclopentadecen-2-ylazo)-6,7,9,10,12,13,15,16-octahydro-5,8,11,14,17-pentaoxa-benzocyclopentadecen-2-ol 在 potassium carbonate 作用下， 以 二甲基亚砜 为溶剂， 反应 4.0h， 以70%的产率得到
  参考文献：
  名称：

  Synthesis and Photoswitchable Complexation/Extraction Properties of Lipophilic Azabis(benzo-15-crown-5) Ionophores for Alkali Metal Cations

  摘要：

  Novel lipophilic derivatives of azobis(benzo-15-crown-5) (1b, 1c) were synthesized and their photoisomerization, complexation and extraction properties for alkali metal cations were investigated. Upon UV light irradiation, the photostationary state of the trans and cis isomers was reached and, with both 1b and 1c, the extractabilities of Rb+ and Cs+ increased due to the formation of 1:1 sandwich-type complexes by the cis isomers. On the other hand, the extractability of K+ decreased, possibly because the 2:1 complexes formed by the trans isomers are more stable and/or lipophilic than the complexes of the cis isomers.

  DOI：

  10.3987/com-97-s(n)87
• 作为产物：
  描述：

  4-铌苯基15-5-乙基 在 palladium on activated charcoal 盐酸 、 氢气 、 sodium nitrite 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.17h， 生成 3-(6,7,9,10,12,13,15,16-Octahydro-5,8,11,14,17-pentaoxa-benzocyclopentadecen-2-ylazo)-6,7,9,10,12,13,15,16-octahydro-5,8,11,14,17-pentaoxa-benzocyclopentadecen-2-ol
  参考文献：
  名称：

  Synthesis and Photoswitchable Complexation/Extraction Properties of Lipophilic Azabis(benzo-15-crown-5) Ionophores for Alkali Metal Cations

  摘要：

  Novel lipophilic derivatives of azobis(benzo-15-crown-5) (1b, 1c) were synthesized and their photoisomerization, complexation and extraction properties for alkali metal cations were investigated. Upon UV light irradiation, the photostationary state of the trans and cis isomers was reached and, with both 1b and 1c, the extractabilities of Rb+ and Cs+ increased due to the formation of 1:1 sandwich-type complexes by the cis isomers. On the other hand, the extractability of K+ decreased, possibly because the 2:1 complexes formed by the trans isomers are more stable and/or lipophilic than the complexes of the cis isomers.

  DOI：

  10.3987/com-97-s(n)87