1-(2-Methyl-5-nitro-1,3-dioxan-5-yl)-2-(2-nitrophenyl)-1-oxidodiazen-1-ium | 147459-66-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(2-Methyl-5-nitro-1,3-dioxan-5-yl)-2-(2-nitrophenyl)-1-oxidodiazen-1-ium
• 英文别名: (2-methyl-5-nitro-1,3-dioxan-5-yl)-(2-nitrophenyl)imino-oxidoazanium
• CAS: 147459-66-3
• 化学式: C₁₁H₁₂N₄O₇
• 分子量: 312.239
• InChiKey: VCDFBOAZZJSCGS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  151
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  1-(2-Methyl-5-nitro-1,3-dioxan-5-yl)-2-(2-nitrophenyl)-1-oxidodiazen-1-ium 在 氢氧化钾 、 sodium dichromate 、 硫酸 、 乙酰氯 作用下， 以 甲醇 、 二氯甲烷 、 水 为溶剂， 反应 15.0h， 生成 nitro-(2-nitrophenyl-NNO-azoxy)methane
  参考文献：
  名称：

  Aryl-NNO-azoxy-?-nitroalkanes

  摘要：

  Two methods of synthesis of aryl-NNO-azoxy-alpha-nitroalkanes bearing either one or two reactive hydrogen atoms alpha to the azoxy and nitro groups are described. These methods involve protection of the latter by easily removable groupings, those used being acetoxy-methyl and acetal fragments. The regiochemical nature of the diazene oxide groupings in aryl-NNO-azoxy-alpha-nitroalkanes obtained by oxidation of the appropriate diazenes has been established by heteronuclear NMR and x-ray structural examination. Some of the chemical properties of these diazene oxides have been examined.

  DOI：

  10.1007/bf00863827
• 作为产物：
  描述：

  (2-Methyl-5-nitro-[1,3]dioxan-5-yl)-(2-nitro-phenyl)-diazene 在 双氧水 、 三氟乙酸酐 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以70%的产率得到1-(2-Methyl-5-nitro-1,3-dioxan-5-yl)-2-(2-nitrophenyl)-1-oxidodiazen-1-ium
  参考文献：
  名称：

  Aryl-NNO-azoxy-?-nitroalkanes

  摘要：

  Two methods of synthesis of aryl-NNO-azoxy-alpha-nitroalkanes bearing either one or two reactive hydrogen atoms alpha to the azoxy and nitro groups are described. These methods involve protection of the latter by easily removable groupings, those used being acetoxy-methyl and acetal fragments. The regiochemical nature of the diazene oxide groupings in aryl-NNO-azoxy-alpha-nitroalkanes obtained by oxidation of the appropriate diazenes has been established by heteronuclear NMR and x-ray structural examination. Some of the chemical properties of these diazene oxides have been examined.

  DOI：

  10.1007/bf00863827

文献信息

• Aryl-NNO-azoxy-?-nitroalkanes
  作者：O. A. Luk'yanov、Yu. B. Salamonov、A. G. Bass、V. S. Bogdanov、Yu. A. Strelenko、V. S. Kuz'min、Yu. T. Struchkov、Yu. N. Burtsev

  DOI：10.1007/bf00863827

  日期：1992.10

  Two methods of synthesis of aryl-NNO-azoxy-alpha-nitroalkanes bearing either one or two reactive hydrogen atoms alpha to the azoxy and nitro groups are described. These methods involve protection of the latter by easily removable groupings, those used being acetoxy-methyl and acetal fragments. The regiochemical nature of the diazene oxide groupings in aryl-NNO-azoxy-alpha-nitroalkanes obtained by oxidation of the appropriate diazenes has been established by heteronuclear NMR and x-ray structural examination. Some of the chemical properties of these diazene oxides have been examined.