4,9,16,21,26,33-Hexaoxa-3,5,8,10,12,13,15,17,20,22,25,27,29,30,32,34-hexadecazaheptacyclo[29.3.0.02,6.07,11.014,18.019,23.024,28]tetratriaconta-1(34),2,5,7,10,12,14,17,19,22,24,27,29,31-tetradecaene | 1415308-86-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4,9,16,21,26,33-Hexaoxa-3,5,8,10,12,13,15,17,20,22,25,27,29,30,32,34-hexadecazaheptacyclo[29.3.0.02,6.07,11.014,18.019,23.024,28]tetratriaconta-1(34),2,5,7,10,12,14,17,19,22,24,27,29,31-tetradecaene
• CAS: 1415308-86-9
• 化学式: C₁₂N₁₆O₆
• 分子量: 464.236
• InChiKey: PSNHLRICJAYDFI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.4
• 重原子数：
  34
• 可旋转键数：
  0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  283
• 氢给体数：
  0
• 氢受体数：
  22

反应信息

• 作为产物：
  描述：

  [3,3',4',3'']-tris-[1,2,5]-oxadiazole-4,4''-diamine 在 三氯异氰尿酸 作用下， 以 乙腈 为溶剂， 反应 2.0h， 以75%的产率得到4,9,16,21,26,33-Hexaoxa-3,5,8,10,12,13,15,17,20,22,25,27,29,30,32,34-hexadecazaheptacyclo[29.3.0.02,6.07,11.014,18.019,23.024,28]tetratriaconta-1(34),2,5,7,10,12,14,17,19,22,24,27,29,31-tetradecaene
  参考文献：
  名称：

  The Synthesis and Characterization of a New Furazan Heterocyclic System

  摘要：

  A new furazan macrocycle, hexakis[1,2,5]oxadiazole[3,4-c:3',4'-e;3 '',4 ''-g:3'",4'"-k:3 '''',4 ''''-m:3 ''''',4 '''''-o][[1,2,9,10]-tetraazacyclohexadecine was synthesized by oxidation of diamino trifurazan with trichloroisocyanuric acid. A macrocyclic product is formed under the reaction conditions. The product displays interesting structural properties within the trifurazan segments of the molecule, where the central rings are rotated nearly 90 degrees out of plane from the outer rings. The macrocycle has also been shown to be a sensitive explosive with sensitivity and power similar to the explosive pentaerythritol tetranitrate (PETN). The chemical and explosive properties of this new macrocycle are described in this letter.

  DOI：

  10.1055/s-0032-1316704