(dimethylamino)dinitroethylene | 113110-10-4

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: (dimethylamino)dinitroethylene
• 英文别名: N,N-dimethyl-2,2-dinitroethenamine
• CAS: 113110-10-4
• 化学式: C₄H₇N₃O₄
• 分子量: 161.117
• InChiKey: PUSQAEGRMGUCNK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  11.0
• 可旋转键数：
  3.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  89.52
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  (dimethylamino)dinitroethylene 在 氢氧化钾 作用下， 以 水 为溶剂， 生成 dinitroacetaldehyde potassium salt
  参考文献：
  名称：

  gem-Dinitro compounds in organic synthesis. 1. Synthesis of functionally substituted polynitro compounds with the use of the universal synthon, ethyl dinitroacetate

  摘要：

  Ethyl nitroacetate (I) was used as a synthon in the preparation of dinitromethane, dinitroacetic acid, 2,2-dinitroethanol, fluorodinitromethane, 1,1,3,3-tetranitropropane, and some condensation products of Henry and Mannich reactions. A number of dinitroacetaldehyde derivatives were also prepared: its potassium salt, oxime, and hydrazone, dinitroacetaldehyde azine; and mixed azines with other acetaldehydes.

  DOI：

  10.1007/bf01172267
• 作为产物：
  描述：

  二硝甲烷 、 N,N-二甲基甲酰胺二甲基缩醛 以 乙醚 为溶剂， 反应 2.0h， 生成 (dimethylamino)dinitroethylene
  参考文献：
  名称：

  gem-Dinitro compounds in organic synthesis. 1. Synthesis of functionally substituted polynitro compounds with the use of the universal synthon, ethyl dinitroacetate

  摘要：

  Ethyl nitroacetate (I) was used as a synthon in the preparation of dinitromethane, dinitroacetic acid, 2,2-dinitroethanol, fluorodinitromethane, 1,1,3,3-tetranitropropane, and some condensation products of Henry and Mannich reactions. A number of dinitroacetaldehyde derivatives were also prepared: its potassium salt, oxime, and hydrazone, dinitroacetaldehyde azine; and mixed azines with other acetaldehydes.

  DOI：

  10.1007/bf01172267

文献信息

• LAJXTER, A. L.;CHERKASOVA, T. I.;MELNIKOVA, L. G.;UGRAK, B. I.;FAJNZILBER+, IZV. AN CCCP. CEP. XIM.,(1991) N, S. 1849-1855
  作者：LAJXTER, A. L.、CHERKASOVA, T. I.、MELNIKOVA, L. G.、UGRAK, B. I.、FAJNZILBER+

  DOI：——

  日期：——