(3aR,3bR,6aS,6bS)-1,3,4,6-Tetraacetyl-octahydro-cyclobuta[1,2-d;3,4-d']diimidazole-2,5-dione | 186179-72-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• 英文名称: (3aR,3bR,6aS,6bS)-1,3,4,6-Tetraacetyl-octahydro-cyclobuta[1,2-d;3,4-d']diimidazole-2,5-dione
• CAS: 186179-72-6
• 化学式: C₁₄H₁₆N₄O₆
• 分子量: 336.304
• InChiKey: TYZRTWYGDYRRBQ-IWDIQUIJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.86
• 重原子数：
  24.0
• 可旋转键数：
  0.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  115.38
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  (3aR,3bR,6aS,6bS)-1,3,4,6-Tetraacetyl-octahydro-cyclobuta[1,2-d;3,4-d']diimidazole-2,5-dione 在 sodium hydride 、 potassium carbonate 作用下， 以 乙醇 、 水 为溶剂， 反应 4.75h， 生成 (3aR,3bR,6aS,6bS)-1,3,4,6-Tetramethyl-octahydro-cyclobuta[1,2-d;3,4-d']diimidazole-2,5-dione
  参考文献：
  名称：

  Synthesis and Characterization of 1,2,3,4-Cyclobutanetetranitramine Derivatives

  摘要：

  A series of new nitramines have been synthesized. All of the new compounds possess four nitramine moieties arranged about a cyclobutane ring in a 1 alpha,2 alpha,3 beta,4 beta (cis,trans,cis) configuration. One of the new materials, 1, is unusually thermally and hydrolytically stable but sensitive to impact. 1,2,3,4-Cyclobutanetetranitramine (3) is reported for the first time.

  DOI：

  10.1021/jo9613040
• 作为产物：
  描述：

  1,3-diacetyl-2,3-dihydro-1H-imidazol-2-one 以 丙酮 为溶剂， 反应 192.0h， 以30%的产率得到(3aR,3bR,6aS,6bS)-1,3,4,6-Tetraacetyl-octahydro-cyclobuta[1,2-d;3,4-d']diimidazole-2,5-dione
  参考文献：
  名称：

  Synthesis and Characterization of 1,2,3,4-Cyclobutanetetranitramine Derivatives

  摘要：

  A series of new nitramines have been synthesized. All of the new compounds possess four nitramine moieties arranged about a cyclobutane ring in a 1 alpha,2 alpha,3 beta,4 beta (cis,trans,cis) configuration. One of the new materials, 1, is unusually thermally and hydrolytically stable but sensitive to impact. 1,2,3,4-Cyclobutanetetranitramine (3) is reported for the first time.

  DOI：

  10.1021/jo9613040