5-acetyl-4-methylthio-2-phenyl-6-(N-phenylureido)pyrimidine | 172951-32-5

• 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: 5-acetyl-4-methylthio-2-phenyl-6-(N-phenylureido)pyrimidine
• 英文别名: 1-(5-acetyl-6-methylsulfanyl-2-phenylpyrimidin-4-yl)-3-phenylurea
• CAS: 172951-32-5
• 化学式: C₂₀H₁₈N₄O₂S
• 分子量: 378.455
• InChiKey: YQDMMLLLWZZADX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.71
• 重原子数：
  27.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  83.98
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  5-acetyl-4-methylthio-2-phenyl-6-(N-phenylureido)pyrimidine 在 sodium methylate 作用下， 以 甲醇 为溶剂， 反应 1.0h， 以74%的产率得到4-methylene-5-methylthio-3,7-diphenyl-1H,3H-pyrimido<4,5-d>pyrimidin-2-one
  参考文献：
  名称：

  5-Acetyl-6-amino-4-methylthio-2-phenylpyrimidine and its use in the synthesis of functionalized pyrido[2,3-d]pyrimidines and pyrimido-[4,5-d]pyrimidines

  摘要：

  Schemes for the synthesis of MeS-substituted pyrido[2,3-d]pyrimidin-5-one, pyrimido[4,5-d]pyrimidine, and 4-methylenepyrimido[4,5-d]pyrimidin-2-one based on 5-acetyl-6-amino-4-methylthio-2-phenylpyrimidine, which was prepared from the adduct of benzoyl isothiocyanate with acetylketene N-benzoylaminal, were suggested.

  DOI：

  10.1007/bf00700904
• 作为产物：
  描述：

  2-acetyl-3-amino-3-benzoylamino-N-benzoylthioamide 在 sodium methylate 作用下， 以 甲苯 为溶剂， 反应 20.0h， 生成 5-acetyl-4-methylthio-2-phenyl-6-(N-phenylureido)pyrimidine
  参考文献：
  名称：

  5-Acetyl-6-amino-4-methylthio-2-phenylpyrimidine and its use in the synthesis of functionalized pyrido[2,3-d]pyrimidines and pyrimido-[4,5-d]pyrimidines

  摘要：

  Schemes for the synthesis of MeS-substituted pyrido[2,3-d]pyrimidin-5-one, pyrimido[4,5-d]pyrimidine, and 4-methylenepyrimido[4,5-d]pyrimidin-2-one based on 5-acetyl-6-amino-4-methylthio-2-phenylpyrimidine, which was prepared from the adduct of benzoyl isothiocyanate with acetylketene N-benzoylaminal, were suggested.

  DOI：

  10.1007/bf00700904