N1-amino(imino)methyl-4-methyl-3-(4-carboxybenzylamino)aniline nitrate | 1337552-34-7

• 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: N1-amino(imino)methyl-4-methyl-3-(4-carboxybenzylamino)aniline nitrate
• CAS: 1337552-34-7
• 化学式: C₁₆H₁₈N₄O₂*HNO₃
• 分子量: 361.357
• InChiKey: CGSBZJAYVGWJCR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.26
• 重原子数：
  26.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  174.6
• 氢给体数：
  6.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  N1-amino(imino)methyl-4-methyl-3-(4-carboxybenzylamino)aniline nitrate 、 1-(3-吡啶基)-3-(二甲氨基)-2-丙烯-1-酮 在 sodium hydroxide 作用下， 以 异丙醇 为溶剂， 生成 三聚氰胺 、 N-[4-(pyridin-3-yl)pyrimidin-2-yl]cyanamide 、 二聚氰胺
  参考文献：
  名称：

  Formation of pyrimidin-2-ylcyanamide and 2-aminopyrimidine in the reaction of aniline derivatives with cyanamide and dimethylamino-1-pyridyl-2-propenone

  摘要：

  Substituted o- and p-nitroanilines and m-benzylaminoanilines in the reaction with cyanamide failed to yield the corresponding arylguanidines, and in the presence of 3-dimethylamino-1-(3-pyridyl)-2-propen-1-one formed 4-pyridyl-substituted pyrimidin-2-ylcyanamides and 2-amino-pyrimidines.

  DOI：

  10.1134/s1070428011080173
• 作为产物：
  描述：

  氰胺 、 4-[(5-amino-2-methylphenylamino)methyl]benzoic acid 在 硝酸 作用下， 以 乙醇 、 水 为溶剂， 以67%的产率得到N1-amino(imino)methyl-4-methyl-3-(4-carboxybenzylamino)aniline nitrate
  参考文献：
  名称：

  Formation of pyrimidin-2-ylcyanamide and 2-aminopyrimidine in the reaction of aniline derivatives with cyanamide and dimethylamino-1-pyridyl-2-propenone

  摘要：

  Substituted o- and p-nitroanilines and m-benzylaminoanilines in the reaction with cyanamide failed to yield the corresponding arylguanidines, and in the presence of 3-dimethylamino-1-(3-pyridyl)-2-propen-1-one formed 4-pyridyl-substituted pyrimidin-2-ylcyanamides and 2-amino-pyrimidines.

  DOI：

  10.1134/s1070428011080173

文献信息

• Formation of pyrimidin-2-ylcyanamide and 2-aminopyrimidine in the reaction of aniline derivatives with cyanamide and dimethylamino-1-pyridyl-2-propenone
  作者：E. V. Koroleva、Zh. V. Ignatovich、S. V. Ignatovich、K. N. Gusak

  DOI：10.1134/s1070428011080173

  日期：2011.8

  Substituted o- and p-nitroanilines and m-benzylaminoanilines in the reaction with cyanamide failed to yield the corresponding arylguanidines, and in the presence of 3-dimethylamino-1-(3-pyridyl)-2-propen-1-one formed 4-pyridyl-substituted pyrimidin-2-ylcyanamides and 2-amino-pyrimidines.