2,3-dimethoxy-1,1,4,4-tetranitrobutane | 96184-04-2

• 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: 2,3-dimethoxy-1,1,4,4-tetranitrobutane
• CAS: 96184-04-2
• 化学式: C₆H₁₀N₄O₁₀
• 分子量: 298.166
• InChiKey: VINISDUFEYEQHR-UHFFFAOYSA-N

物化性质

• 沸点：
  378.5±42.0 °C(Predicted)
• 密度：
  1.545±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  202
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  甲醇 、 diacetate of 1,1,4,4-tetranitro-2,3-butanediol 反应 4.0h， 以88%的产率得到2,3-dimethoxy-1,1,4,4-tetranitrobutane
  参考文献：
  名称：

  Gem-dinitro compounds in organic synthesis. 4. Use of the condensation product of glyoxal and dinitromethane in the synthesis of nitro-1,2,3-triazoles

  摘要：

  The condensation of dinitromethane with glyoxal has been investigated and it has been demonstrated that 1,1,4,4-tetranitro-2,3-butandiol, alpha-hydroxy-beta,beta-dinitropropionic acid or their mixture may be formed. Interaction of 1,1,4,4-tetranitro-2,3-butandiol or 1,4-dibromo-1,1,4,4-tetranitro-2,3-butanediol diacetates with sodium azide leads to bis(5-nitro-1,2,3-triazol-4-yl) via intermediate 1, 1,4,4-tetranitro-1,3-butadiene.

  DOI：

  10.1007/bf00863589

文献信息

• Gem-dinitro compounds in organic synthesis. 4. Use of the condensation product of glyoxal and dinitromethane in the synthesis of nitro-1,2,3-triazoles
  作者：A. T. Baryshnikov、V. I. Erashko、N. I. Zubanova、B. I. Ugrak、S. A. Shevelev、A. A. Fainzilberg、V. V. Semenov

  DOI：10.1007/bf00863589

  日期：1992.9

  The condensation of dinitromethane with glyoxal has been investigated and it has been demonstrated that 1,1,4,4-tetranitro-2,3-butandiol, alpha-hydroxy-beta,beta-dinitropropionic acid or their mixture may be formed. Interaction of 1,1,4,4-tetranitro-2,3-butandiol or 1,4-dibromo-1,1,4,4-tetranitro-2,3-butanediol diacetates with sodium azide leads to bis(5-nitro-1,2,3-triazol-4-yl) via intermediate 1, 1,4,4-tetranitro-1,3-butadiene.