1,2:3,4-di(4,5-octyloxybenzo)-7,8-diaminophenazine | 1384190-15-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 1,2:3,4-di(4,5-octyloxybenzo)-7,8-diaminophenazine
• 英文别名: 2,3,6,7-Tetraoctoxyphenanthro[9,10-b]quinoxaline-11,12-diamine
• CAS: 1384190-15-1
• 化学式: C₅₂H₇₈N₄O₄
• 分子量: 823.216
• InChiKey: JZQTVTLHZOTYGZ-UHFFFAOYSA-N

物化性质

• 沸点：
  901.1±60.0 °C(predicted)
• 密度：
  1.062±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  16.4
• 重原子数：
  60
• 可旋转键数：
  32
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  115
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  、 1,2:3,4-di(4,5-octyloxybenzo)-7,8-diaminophenazine 在 溶剂黄146 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.25h， 生成 7,7'-(((2,3,6,7-tetrakis(octyloxy)dibenzo[a,c]phenazine-11,12-diyl)bis(azanediyl))bis(methaneylylidene))bis(pentadecan-8-one)
  参考文献：
  名称：

  Mesogenic Enaminoketone Ni(II) Complexes of Phenazine and Quinoxaline Derivatives

  摘要：

  The new Ni(II) metallomesogenes were synthesized. Their mesogenic cores are constructed from tetradental enaminoketone unit connected to 1,2: 3,4-di(4,5-dioctyloxybenzo) phenazine or 2,3-di(3,4-dioctyloxyphenylo) quinoxaline. The described compounds form columnar hexagonal phase (Col(hd)) in very broad temperature range. The high stability of the columnar phase results from presence of a permanent dipol moment in enaminoketone moieties created by strong electron withdrawing properties of carbonyl groups.

  DOI：

  10.1080/15421406.2011.653714
• 作为产物：
  描述：

  1,2,4,5-benzenetetraamine tetrahydrochloride 、 2,3,6,7-tetrakis-octyloxy-phenanthrene-9,10-dione 在 sodium acetate 作用下， 以 乙醇 、 水 为溶剂， 以70%的产率得到1,2:3,4-di(4,5-octyloxybenzo)-7,8-diaminophenazine
  参考文献：
  名称：

  Mesogenic Enaminoketone Ni(II) Complexes of Phenazine and Quinoxaline Derivatives

  摘要：

  The new Ni(II) metallomesogenes were synthesized. Their mesogenic cores are constructed from tetradental enaminoketone unit connected to 1,2: 3,4-di(4,5-dioctyloxybenzo) phenazine or 2,3-di(3,4-dioctyloxyphenylo) quinoxaline. The described compounds form columnar hexagonal phase (Col(hd)) in very broad temperature range. The high stability of the columnar phase results from presence of a permanent dipol moment in enaminoketone moieties created by strong electron withdrawing properties of carbonyl groups.

  DOI：

  10.1080/15421406.2011.653714