N-(5-acetyl-6-methylthio-2-phenylpyrimidin-4-yl)-N',N'-dimethylformamidine | 172951-27-8

• 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-(5-acetyl-6-methylthio-2-phenylpyrimidin-4-yl)-N',N'-dimethylformamidine
• 英文别名: N'-(5-acetyl-6-methylsulfanyl-2-phenylpyrimidin-4-yl)-N,N-dimethylmethanimidamide
• CAS: 172951-27-8
• 化学式: C₁₆H₁₈N₄OS
• 分子量: 314.411
• InChiKey: ZRJFXLZOYXLYEI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  83.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-(5-acetyl-6-methylthio-2-phenylpyrimidin-4-yl)-N',N'-dimethylformamidine 在 ammonium acetate 作用下， 以 正丁醇 为溶剂， 反应 2.0h， 以62%的产率得到5-methyl-4-methylthio-2-phenylpyrimido<4,5-d>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
• 作为产物：
  描述：

  5-acetyl-6-benzoylamino-2-phenyl-3H-pyrimidine-4-thione 以 甲醇 、 苯 为溶剂， 反应 4.0h， 生成 N-(5-acetyl-6-methylthio-2-phenylpyrimidin-4-yl)-N',N'-dimethylformamidine
  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

文献信息

• 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
  作者：A. V. Komkov、A. M. Sakharov、V. S. Bogdanov、V. A. Dorokhov

  DOI：10.1007/bf00700904

  日期：1995.7

  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.