N-((dimethylamino)methylene)-N-methylmethanaminium (E)-2,4-dicyano-1,5-dimethoxy-1,5-dioxopent-3-en-2-ide | 139388-63-9

• 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: N-((dimethylamino)methylene)-N-methylmethanaminium (E)-2,4-dicyano-1,5-dimethoxy-1,5-dioxopent-3-en-2-ide
• CAS: 139388-63-9
• 化学式: C₅H₁₃N₂*C₉H₇N₂O₄
• 分子量: 308.337
• InChiKey: CFDCFKATQGLEBK-ZIKNSQGESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.27
• 重原子数：
  22.0
• 可旋转键数：
  4.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  106.43
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  N-Dimethoxymethyl-N',N'-dimethylformamidin 、 氰乙酸甲酯 反应 24.0h， 生成 methyl 2-cyano-3-dimethylaminoacrylate 、 N-((dimethylamino)methylene)-N-methylmethanaminium (E)-2,4-dicyano-1,5-dimethoxy-1,5-dioxopent-3-en-2-ide
  参考文献：
  名称：

  Synthesis of conjugated ?-dimethylaminocarbonyl compounds containing an azomethine fragment

  摘要：

  Methods have been studied for synthesis of conjugated omega-dimethylaminocarbonyl compounds containing an azomethine fragment. The structures were established of all products from reaction of 2-aza-3-dimethylaminoacrolein acetal with CH-acids and of DMF acetal and beta-dimethylaminoacrolein aminal with primary amines. It was shown that in many cases these reactions are accompanied by cleavage of the C=N, C-N and C=C bonds.

  DOI：

  10.1007/bf00963505