6-amino-5-(4-fluorophenethylamino)-1-methylpyrimidine-2,4(1H,3H)-dione | 876373-32-9

• 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: 6-amino-5-(4-fluorophenethylamino)-1-methylpyrimidine-2,4(1H,3H)-dione
• 英文别名: 6-Amino-5-[2-(4-fluorophenyl)ethylamino]-1-methylpyrimidine-2,4-dione
• CAS: 876373-32-9
• 化学式: C₁₃H₁₅FN₄O₂
• 分子量: 278.286
• InChiKey: IJIDOMOPUQJXQB-UHFFFAOYSA-N

物化性质

• 密度：
  1.36±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  87.5
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  6-amino-5-(4-fluorophenethylamino)-1-methylpyrimidine-2,4(1H,3H)-dione 、 potassium ethyl xanthogenate 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.17h， 以96.8%的产率得到7-(4-fluorophenethyl)-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione
  参考文献：
  名称：

  Microwave-assisted synthesis of 8-mercapto-3-methyl-7-alkyl xanthines—an improved method

  摘要：

  A microwave-assisted synthetic method to prepare novel 8-mercapto-3-methyl-7-alkyl xanthine compounds is reported. Compared to conventional synthetic route, the new method significantly shortened synthetic steps and reaction time. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.11.095
• 作为产物：
  描述：

  6-氨基-1-甲基尿嘧啶 在 溴 、 碳酸氢钠 作用下， 以 甲醇 为溶剂， 反应 0.17h， 生成 6-amino-5-(4-fluorophenethylamino)-1-methylpyrimidine-2,4(1H,3H)-dione
  参考文献：
  名称：

  Microwave-assisted synthesis of 8-mercapto-3-methyl-7-alkyl xanthines—an improved method

  摘要：

  A microwave-assisted synthetic method to prepare novel 8-mercapto-3-methyl-7-alkyl xanthine compounds is reported. Compared to conventional synthetic route, the new method significantly shortened synthetic steps and reaction time. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.11.095

文献信息

• Microwave-assisted synthesis of 8-mercapto-3-methyl-7-alkyl xanthines—an improved method
  作者：Lei Zhang、Y. John Zhang

  DOI：10.1016/j.tetlet.2005.11.095

  日期：2006.1

  A microwave-assisted synthetic method to prepare novel 8-mercapto-3-methyl-7-alkyl xanthine compounds is reported. Compared to conventional synthetic route, the new method significantly shortened synthetic steps and reaction time. (c) 2005 Elsevier Ltd. All rights reserved.