N-[3-Nitro-5-(4-nitro-5-oxy-furazan-3-yl)-phenyl]-acetamide | 205175-50-4

• 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: N-[3-Nitro-5-(4-nitro-5-oxy-furazan-3-yl)-phenyl]-acetamide
• 英文别名: N-[3-nitro-5-(4-nitro-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)phenyl]acetamide
• CAS: 205175-50-4
• 化学式: C₁₀H₇N₅O₇
• 分子量: 309.195
• InChiKey: ORIHEFQKVOTYIY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  172
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  N-[3-Nitro-5-(4-nitro-5-oxy-furazan-3-yl)-phenyl]-acetamide 在 盐酸 作用下， 以 乙醇 为溶剂， 以91%的产率得到3-Nitro-5-(4-nitro-5-oxy-furazan-3-yl)-phenylamine
  参考文献：
  名称：

  Synthesis of 3-amino-5-nitrobenzaldehyde oxime and its conversion into 3,4-bis(3-amino-5-nitrophenyl)furoxan and isomeric 3(4)-(3-amino-5-nitrophenyl)-4(3)-nitrofuroxans

  摘要：

  The oxime of the hitherto unknown 3-amino-5-nitrobenzaldehyde was synthesized by the reaction of 3-amino-5-nitrobenzaldehyde phenylhydrazone with excess of (NH2OH)(2) . H2SO4. The oxime obtained was used as the starting compound for the synthesis of novel diaryl-and arylnitrofuroxans.

  DOI：

  10.1007/bf02495264
• 作为产物：
  描述：

  dipotassium salt of 2-hydroxyimino-2-(3-acetylamino-5-nitrophenyl)-1,1-dinitroethane 在 sodium acetate 、 sodium nitrite 作用下， 以 溶剂黄146 为溶剂， 反应 0.5h， 以71%的产率得到N-[3-Nitro-5-(4-nitro-5-oxy-furazan-3-yl)-phenyl]-acetamide
  参考文献：
  名称：

  Synthesis of 3-amino-5-nitrobenzaldehyde oxime and its conversion into 3,4-bis(3-amino-5-nitrophenyl)furoxan and isomeric 3(4)-(3-amino-5-nitrophenyl)-4(3)-nitrofuroxans

  摘要：

  The oxime of the hitherto unknown 3-amino-5-nitrobenzaldehyde was synthesized by the reaction of 3-amino-5-nitrobenzaldehyde phenylhydrazone with excess of (NH2OH)(2) . H2SO4. The oxime obtained was used as the starting compound for the synthesis of novel diaryl-and arylnitrofuroxans.

  DOI：

  10.1007/bf02495264