1-(4-methoxyphenyl)-2-(2,4,6-tripiperidin-1-ylphenyl)diazene | 699021-87-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 偶氮苯
• 英文名称: 1-(4-methoxyphenyl)-2-(2,4,6-tripiperidin-1-ylphenyl)diazene
• 英文别名: (4-Methoxyphenyl)-[2,4,6-tri(piperidin-1-yl)phenyl]diazene
• CAS: 699021-87-9
• 化学式: C₂₈H₃₉N₅O
• 分子量: 461.651
• InChiKey: UWGNJBXSUFNPOZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  43.7
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1-[2-(4-methoxyphenylazo)-3,5-dipiperidin-1-ylphenyl]piperidinium tetrafluoroborate 生成 1-(4-methoxyphenyl)-2-(2,4,6-tripiperidin-1-ylphenyl)diazene
  参考文献：
  名称：

  The first isolation of a Wheland complex in azo-coupling reaction, X-ray diffraction analysis and products from its evolution

  摘要：

  The reaction between tris(N-piperidinyl)benzene and 4-methoxybenzenediazonium tetrafluoroborate afforded a Wheland intermediate (W) that was isolated and crystallized at low temperature. This permitted to obtain, for the first time, the X-ray structure analysis of a sigma-complex in the diazo coupling reaction. In solution, W slowly evolves to the rearomatized product PH+ (as salt). The single crystal X-ray diffraction determination of the neutral azo compound P is also reported.

  DOI：

  10.3998/ark.5550190.p008.311