1,1'-dimethyl-4-methylamino[3,3']bipyrrolyl-2,5,2',5'-tetraone | 920874-57-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1,1'-dimethyl-4-methylamino[3,3']bipyrrolyl-2,5,2',5'-tetraone
• 英文别名: 1,1'-Dimethyl-4-methylamino-[3,3']bipyrrolyl-2,5,2',5'-tetraone；1-methyl-3-(methylamino)-4-(1-methyl-2,5-dioxopyrrol-3-yl)pyrrole-2,5-dione
• CAS: 920874-57-3
• 化学式: C₁₁H₁₁N₃O₄
• 分子量: 249.226
• InChiKey: FWTVDHVGNMWLSH-UHFFFAOYSA-N

物化性质

• 熔点：
  172-173 °C(Solv: isopropanol (67-63-0))
• 沸点：
  283.5±40.0 °C(Predicted)
• 密度：
  1.48±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.1
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  86.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1-甲基-3-(甲基氨基)-1H-吡咯-2,5-二酮 在 盐酸 作用下， 以 甲醇 为溶剂， 反应 18.0h， 以65.3%的产率得到1,1'-dimethyl-4-methylamino[3,3']bipyrrolyl-2,5,2',5'-tetraone
  参考文献：
  名称：

  3-aminopyrrole-2,5-diones 3*. Synthesis of benzenehexa-carboxylic acid trimethylimide and 1,1′-dimethyl-4-methylamino-[3,3′]bipyrrolyl-2,5,2′,5′-tetraone by the reaction of 1-methyl-3-methylaminopyrrole-2,5-dione with hydrogen chloride

  摘要：

  In the presence of hydrogen chloride in aqueous methanol 1-methyl-3-methylaminopyrrole-2,5-dione forms benzenehexacarboxylic acid trimethylimide but gives 1,1'-dimethyl-4-methylamino[3,3']bipyrrolyl-2,5,2',5'-tetraone when absolute methanol is used.

  DOI：

  10.1007/s10593-009-0355-y

文献信息

• 3-aminopyrrole-2,5-diones 3*. Synthesis of benzenehexa-carboxylic acid trimethylimide and 1,1′-dimethyl-4-methylamino-[3,3′]bipyrrolyl-2,5,2′,5′-tetraone by the reaction of 1-methyl-3-methylaminopyrrole-2,5-dione with hydrogen chloride
  作者：S. V. Chepyshev、Yu. N. Chepysheva、A. B. Ryabitsky、A. V. Prosyanik

  DOI：10.1007/s10593-009-0355-y

  日期：2009.7

  In the presence of hydrogen chloride in aqueous methanol 1-methyl-3-methylaminopyrrole-2,5-dione forms benzenehexacarboxylic acid trimethylimide but gives 1,1'-dimethyl-4-methylamino[3,3']bipyrrolyl-2,5,2',5'-tetraone when absolute methanol is used.