8-benzyloxy-1,4,13,16,23,30-hexaoxa-<4>-(2,6)-pyridino-<4>-(1,2)-benzeno-<1>-(1,2)-benzeno-<1>-(1,2)-benzenophane | 171000-42-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 8-benzyloxy-1,4,13,16,23,30-hexaoxa-<4>-(2,6)-pyridino-<4>-(1,2)-benzeno-<1>-(1,2)-benzeno-<1>-(1,2)-benzenophane
• CAS: 171000-42-3
• 化学式: C₃₆H₃₃NO₇
• 分子量: 591.661
• InChiKey: IGUAJNIJGOXVCV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.75
• 重原子数：
  44.0
• 可旋转键数：
  3.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  77.5
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  8-benzyloxy-1,4,13,16,23,30-hexaoxa-<4>-(2,6)-pyridino-<4>-(1,2)-benzeno-<1>-(1,2)-benzeno-<1>-(1,2)-benzenophane 在 palladium on activated charcoal 氢气 作用下， 以 乙酸乙酯 为溶剂， 25.0 ℃ 、303.97 kPa 条件下， 反应 4.0h， 以74%的产率得到1,4,13,16,23,30-hexaoxa-<4>-(2,6)-4-pyridono-<4>-(1,2)-benzeno-<1>-(1,2)-benzeno-<1>-(1,2)-benzenophane
  参考文献：
  名称：

  Benzo condensed crown ethers containing 1,8-naphthyridine or 4-pyridone units - synthesis and complex formation with organic guest molecules

  摘要：

  New crown compounds 3-5 comprising beside o-phenylene groups 1,8-naphthyridine or 4-pyridone groups as characteristic building units are synthesized. They form numerous stoichiometric crystalline complexes with uncharged organic molecules including alcohols, nitro compounds and other dipolar-aprotic solvents, as well as cyclic ethers and aromatic hydrocarbons. Properties of complex formation and host-guest stoichiometries are discussed making a comparison with parent host analogues.

  DOI：

  10.1002/prac.19953370198
• 作为产物：
  描述：

  (4-(benzyloxy)pyridine-2,6-diyl)dimethanol 在 吡啶 、 氯化亚砜 、 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 、 苯 为溶剂， 反应 7.0h， 生成 8-benzyloxy-1,4,13,16,23,30-hexaoxa-<4>-(2,6)-pyridino-<4>-(1,2)-benzeno-<1>-(1,2)-benzeno-<1>-(1,2)-benzenophane
  参考文献：
  名称：

  Benzo condensed crown ethers containing 1,8-naphthyridine or 4-pyridone units - synthesis and complex formation with organic guest molecules

  摘要：

  New crown compounds 3-5 comprising beside o-phenylene groups 1,8-naphthyridine or 4-pyridone groups as characteristic building units are synthesized. They form numerous stoichiometric crystalline complexes with uncharged organic molecules including alcohols, nitro compounds and other dipolar-aprotic solvents, as well as cyclic ethers and aromatic hydrocarbons. Properties of complex formation and host-guest stoichiometries are discussed making a comparison with parent host analogues.

  DOI：

  10.1002/prac.19953370198