N-[4-amino-6-(4-methylphenyl)sulfanyl-2-phenylpyrimidin-5-yl]-4-chlorobenzamide | 1281829-45-5

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: N-[4-amino-6-(4-methylphenyl)sulfanyl-2-phenylpyrimidin-5-yl]-4-chlorobenzamide
• CAS: 1281829-45-5
• 化学式: C₂₄H₁₉ClN₄OS
• 分子量: 446.96
• InChiKey: PDCQYDJKFGZLHW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  106
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-[4-amino-6-(4-methylphenyl)sulfanyl-2-phenylpyrimidin-5-yl]-4-chlorobenzamide 在 polyphosphoric acid 作用下， 反应 6.0h， 以58%的产率得到8-(4-chlorophenyl)-2-phenyl-6-(p-tolylthio)-9H-purine
  参考文献：
  名称：

  A new route for the synthesis of 4,5-diamino-6-arylsulfanylpyrimidine derivatives and also purines on their basis

  摘要：

  5-Acylamino-4-amino-6-arylsulfanylpyrimidines were formed by the reaction 3-arylsulfanyl-2-acylamino-3-chloroacrylonitriles with benzamidine. The products were converted into new derivatives of 6-arylsulfanyl-substituted purine bases by treatment with polyphosphoric acid.

  DOI：

  10.1007/s10593-011-0786-0
• 作为产物：
  描述：

  α-(p-Chlorbenzamido)-β,β-dichloracrylnitril 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 20.0h， 生成 N-[4-amino-6-(4-methylphenyl)sulfanyl-2-phenylpyrimidin-5-yl]-4-chlorobenzamide
  参考文献：
  名称：

  A new route for the synthesis of 4,5-diamino-6-arylsulfanylpyrimidine derivatives and also purines on their basis

  摘要：

  5-Acylamino-4-amino-6-arylsulfanylpyrimidines were formed by the reaction 3-arylsulfanyl-2-acylamino-3-chloroacrylonitriles with benzamidine. The products were converted into new derivatives of 6-arylsulfanyl-substituted purine bases by treatment with polyphosphoric acid.

  DOI：

  10.1007/s10593-011-0786-0

文献信息

• A new route for the synthesis of 4,5-diamino-6-arylsulfanylpyrimidine derivatives and also purines on their basis
  作者：C. V. Popil’nichenko、R. N. Solomyannyj、V. S. Brovarets

  DOI：10.1007/s10593-011-0786-0

  日期：2011.7

  5-Acylamino-4-amino-6-arylsulfanylpyrimidines were formed by the reaction 3-arylsulfanyl-2-acylamino-3-chloroacrylonitriles with benzamidine. The products were converted into new derivatives of 6-arylsulfanyl-substituted purine bases by treatment with polyphosphoric acid.