2-amino-6-(4'-chlorophenyl)-4-hydroxy-5-ethylpyrimidine | 1021949-89-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2-amino-6-(4'-chlorophenyl)-4-hydroxy-5-ethylpyrimidine
• 英文别名: 2-amino-4-(4-chlorophenyl)-5-ethyl-1H-pyrimidin-6-one
• CAS: 1021949-89-2
• 化学式: C₁₂H₁₂ClN₃O
• 分子量: 249.7
• InChiKey: PERTUKQQSKTCAN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  67.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-amino-6-(4'-chlorophenyl)-4-hydroxy-5-ethylpyrimidine 在 三氯氧磷 作用下， 反应 2.0h， 以30%的产率得到2-amino-4-chloro-6-(4'-chlorophenyl)-5-ethylpyrimidine
  参考文献：
  名称：

  Selective synthesis of fluorinated benzyl- or phenylpyrimidines from the heterocyclisation of α-trifluoroacetylarylpropanenitriles

  摘要：

  Some 5-benzyl-6-trifluoromethyl-2,4-diaminopyrimidines analogous to trimethoprim and 6-aryl -5-trifluoroethyl-2,4-diaminopyrimidines analogous to pyrimethamine were prepared from the same synthons, trifluoromethylated P-ketonitriles. The heterocyclisation between enol ether of beta-ketonitrile and guanidine leading to these compounds was studied. These fluorinated novel compounds were tested for their in vitro activity against Toxoplasma gondii, a widespread apicomplexan protozoa responsible for congenital toxoplasmosis and cerebral toxoplasmosis in immunocompromised patients. (c) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2007.05.014
• 作为产物：
  描述：

  盐酸胍 、 Methyl 2-(4-chlorobenzoyl)butanoate 在 potassium carbonate 作用下， 以 乙醇 为溶剂， 反应 24.0h， 以70%的产率得到2-amino-6-(4'-chlorophenyl)-4-hydroxy-5-ethylpyrimidine
  参考文献：
  名称：

  Selective synthesis of fluorinated benzyl- or phenylpyrimidines from the heterocyclisation of α-trifluoroacetylarylpropanenitriles

  摘要：

  Some 5-benzyl-6-trifluoromethyl-2,4-diaminopyrimidines analogous to trimethoprim and 6-aryl -5-trifluoroethyl-2,4-diaminopyrimidines analogous to pyrimethamine were prepared from the same synthons, trifluoromethylated P-ketonitriles. The heterocyclisation between enol ether of beta-ketonitrile and guanidine leading to these compounds was studied. These fluorinated novel compounds were tested for their in vitro activity against Toxoplasma gondii, a widespread apicomplexan protozoa responsible for congenital toxoplasmosis and cerebral toxoplasmosis in immunocompromised patients. (c) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2007.05.014