2,4,6,8-Tetra(4-methoxybenzyl)-2,4,6,8-tetraazabicyclo<3.3.0>octane | 144437-25-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2,4,6,8-Tetra(4-methoxybenzyl)-2,4,6,8-tetraazabicyclo<3.3.0>octane
• 英文别名: 1,3,4,6-Tetrakis[(4-methoxyphenyl)methyl]-2,3a,5,6a-tetrahydroimidazo[4,5-d]imidazole
• CAS: 144437-25-2
• 化学式: C₃₆H₄₂N₄O₄
• 分子量: 594.754
• InChiKey: WUGBTNJYLAUNHW-UHFFFAOYSA-N

物化性质

• 沸点：
  689.5±55.0 °C(Predicted)
• 密度：
  1.198±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  44
• 可旋转键数：
  12
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  49.9
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  聚合甲醛 、 草酸醛 、 4-甲氧基苄胺 在 甲酸 作用下， 以 甲醇 、 水 为溶剂， 以89%的产率得到2,4,6,8-Tetra(4-methoxybenzyl)-2,4,6,8-tetraazabicyclo<3.3.0>octane
  参考文献：
  名称：

  Polyazapolycyclics by condensation of aldehydes with amines. 3. Formation of 2,4,6,8-tetrabenzyl-2,4,6,8-tetraazabicyclo[3.3.0]octanes from formaldehyde, glyoxal, and benzylamines

  摘要：

  The condensation of formaldehyde, glyoxal, and benzylamine, in a stoichiometric ratio, leads to 2,4,6,8-tetrabenzyl-2,4,6,8-tetraazabicyclo[3.3.0]octane (1d) in methanol solvent with formic acid catalyst. Six phenyl-substituted derivatives of Id, as well as 2,4,6,8-tetraisopropyl-2,4,6,8-tetraazabicyclo[3.3.0]octane (1c), have been prepared in high yields by this synthetic method. Some of the chemical behavior of the new compounds is discussed.

  DOI：

  10.1021/jo00051a016

文献信息

• Polyazapolycyclics by condensation of aldehydes with amines. 3. Formation of 2,4,6,8-tetrabenzyl-2,4,6,8-tetraazabicyclo[3.3.0]octanes from formaldehyde, glyoxal, and benzylamines
  作者：Arnold T. Nielsen、Robin A. Nissan、Andrew P. Chafin、Richard D. Gilardi、Clifford F. George

  DOI：10.1021/jo00051a016

  日期：1992.12

  The condensation of formaldehyde, glyoxal, and benzylamine, in a stoichiometric ratio, leads to 2,4,6,8-tetrabenzyl-2,4,6,8-tetraazabicyclo[3.3.0]octane (1d) in methanol solvent with formic acid catalyst. Six phenyl-substituted derivatives of Id, as well as 2,4,6,8-tetraisopropyl-2,4,6,8-tetraazabicyclo[3.3.0]octane (1c), have been prepared in high yields by this synthetic method. Some of the chemical behavior of the new compounds is discussed.