1-硝基-2-(4-硝基苯基)胍 | 138416-39-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-硝基-2-(4-硝基苯基)胍
• 英文名称: 4-(nitrophenyl)-2-nitroguanidine
• 英文别名: (4-Nitrophenyl)-2-nitroguanidine；2-nitro-1-(4-nitrophenyl)guanidine
• CAS: 138416-39-4
• 化学式: C₇H₇N₅O₄
• 分子量: 225.164
• InChiKey: XOGPBHSLWLPUDP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  142
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-硝基-2-(4-硝基苯基)胍 在 硫酸 、 硝酸 作用下， 反应 0.5h， 以92%的产率得到(2,2-dinitrophenyl)-2-nitroguanidine
  参考文献：
  名称：

  Mono- and di-(2-nitroguanidino)benzenes and some of their amino and nitro derivatives

  摘要：

  A method was developed for the synthesis of mono- and di-(2-nitroguanidino)benzenes and some of their amino and nitro derivatives, based on the reaction of aniline and phenylenediamines with S-methylisothionitrourea, followed by oxidation of the aminophenol-2-nitroguanidines or by nitration of aryl-2-nitroguanidines. It was shown that o-phenylenediamine reacts with S-methylisothionitrourea to form 2-nitraminobenzimidazole.

  DOI：

  10.1007/bf00961048
• 作为产物：
  描述：

  (4-aminophenyl)-2-nitroguanidine 在 硫酸 、 双氧水 、 乙酸酐 作用下， 以 氯仿 为溶剂， 反应 0.5h， 以87%的产率得到1-硝基-2-(4-硝基苯基)胍
  参考文献：
  名称：

  Mono- and di-(2-nitroguanidino)benzenes and some of their amino and nitro derivatives

  摘要：

  A method was developed for the synthesis of mono- and di-(2-nitroguanidino)benzenes and some of their amino and nitro derivatives, based on the reaction of aniline and phenylenediamines with S-methylisothionitrourea, followed by oxidation of the aminophenol-2-nitroguanidines or by nitration of aryl-2-nitroguanidines. It was shown that o-phenylenediamine reacts with S-methylisothionitrourea to form 2-nitraminobenzimidazole.

  DOI：

  10.1007/bf00961048

文献信息

• Mono- and di-(2-nitroguanidino)benzenes and some of their amino and nitro derivatives
  作者：O. A. Luk'yanov、T. G. Mel'nikova、M. E. Shagaeva

  DOI：10.1007/bf00961048

  日期：1991.11

  A method was developed for the synthesis of mono- and di-(2-nitroguanidino)benzenes and some of their amino and nitro derivatives, based on the reaction of aniline and phenylenediamines with S-methylisothionitrourea, followed by oxidation of the aminophenol-2-nitroguanidines or by nitration of aryl-2-nitroguanidines. It was shown that o-phenylenediamine reacts with S-methylisothionitrourea to form 2-nitraminobenzimidazole.