7-N-[(4-chlorophenyl)methyl]-2-phenyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine | 1095051-08-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: 7-N-[(4-chlorophenyl)methyl]-2-phenyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
• CAS: 1095051-08-3
• 化学式: C₁₇H₁₄ClN₇
• 分子量: 351.798
• InChiKey: VDAYQMHUJCEUAS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  94
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-phenyl-7-trichloromethyl-1,2,4-triazolo[1,5-a][1,3,5]triazin-5-amine 、 对氯苄胺 以 N,N-二甲基甲酰胺 为溶剂， 以92%的产率得到7-N-[(4-chlorophenyl)methyl]-2-phenyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
  参考文献：
  名称：

  A convenient method for the synthesis of 7-amino-substituted 1,2,4-triazolo[1,5-a][1,3,5]triazin-5-amines

  摘要：

  A new practical synthesis of 7-amino-substituted 1,2,4-triazolo[1,5-a][1,3,5]triazin-5-amines is developed. The triazine ring closure of 5-guanidino-3-phenyt-1,2,4-triazole with trichloroacetonitrile proceeds chemo- and regioselectively depending on the nature of the solvent. Conducting the reaction in toluene provided 7-trichloromethyl-1,2,4-triazolo[1,5-a][1,3,5]triazin-5-amine as the product, which can be further aminated efficiently with replacement of the trichloromethyl group. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.10.003

文献信息

• A convenient method for the synthesis of 7-amino-substituted 1,2,4-triazolo[1,5-a][1,3,5]triazin-5-amines
  作者：Anton V. Dolzhenko、Giorgia Pastorin、Anna V. Dolzhenko、Wai Keung Chui

  DOI：10.1016/j.tetlet.2008.10.003

  日期：2008.12

  A new practical synthesis of 7-amino-substituted 1,2,4-triazolo[1,5-a][1,3,5]triazin-5-amines is developed. The triazine ring closure of 5-guanidino-3-phenyt-1,2,4-triazole with trichloroacetonitrile proceeds chemo- and regioselectively depending on the nature of the solvent. Conducting the reaction in toluene provided 7-trichloromethyl-1,2,4-triazolo[1,5-a][1,3,5]triazin-5-amine as the product, which can be further aminated efficiently with replacement of the trichloromethyl group. (C) 2008 Elsevier Ltd. All rights reserved.