(2,2-dinitrophenyl)-2-nitroguanidine | 138416-41-8

• 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: (2,2-dinitrophenyl)-2-nitroguanidine
• 英文别名: (2,4-Dinitrophenyl)-2-nitroguanidine；1-(2,4-dinitrophenyl)-2-nitroguanidine
• CAS: 138416-41-8
• 化学式: C₇H₆N₆O₆
• 分子量: 270.161
• InChiKey: SGHVDSCQSPYDTO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  19
• 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：
  188
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2-(nitrophenyl)-2-nitroguanidine 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

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.