2-methyl-4H-pyrido[1,2-a]pyrimidine-4-thione | 50993-74-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶并嘧啶类
• 英文名称: 2-methyl-4H-pyrido[1,2-a]pyrimidine-4-thione
• 英文别名: 2-methylpyrido[1,2-a]pyrimidine-4-thione
• CAS: 50993-74-3
• 化学式: C₉H₈N₂S
• 分子量: 176.242
• InChiKey: PBIXQNASWPKTLU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  47.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-氨基吡啶 、 丁硫代酰胺,3-羰基-N-苯基- 反应 2.0h， 以47%的产率得到2-methyl-4H-pyrido[1,2-a]pyrimidine-4-thione
  参考文献：
  名称：

  General trends in reaction of N-aryl-3-oxobutanethioamides with 2-aminoazoles(azines)

  摘要：

  Reaction products obtained from N-aryl-3-oxobutanethioamides and 2-aminoazoles(azines) are derivatives of (arylamino)pyrimidines and pyrimidinethiones. The ratio of the products depends on the basicity of 1,3-binucleophiles, acidity of the medium, and the character of substituents in the phenyl ring of initial thioamides.

  DOI：

  10.1134/s1070428007100247

文献信息

• General trends in reaction of N-aryl-3-oxobutanethioamides with 2-aminoazoles(azines)
  作者：V. N. Britsun、A. N. Borisevich、M. O. Lozinskii

  DOI：10.1134/s1070428007100247

  日期：2007.10

  Reaction products obtained from N-aryl-3-oxobutanethioamides and 2-aminoazoles(azines) are derivatives of (arylamino)pyrimidines and pyrimidinethiones. The ratio of the products depends on the basicity of 1,3-binucleophiles, acidity of the medium, and the character of substituents in the phenyl ring of initial thioamides.
• Reaction of 3-oxo-3-R1-N-R2-propanethioamides with 2-amino-5-R-pyridines
  作者：V. N. Britsun、A. N. Borisevich、V. B. Pirozhenko、M. O. Lozinskii

  DOI：10.1134/s1070428007020200

  日期：2007.2

  Direction of a reaction between 3-oxo-3-R-1-N-R-2-propanethioamides and 2-amino-5-R-pyridines in acetic acid depends on the structure of initial thioamides: at R-1 = Me, R-2 =Ar, Et 2-methyl-7-R-4H-pyrido[1,2-a]-pyrimidine-4-thiones are obtained, and at R-1 = Ar, R-2 = Me form 1-methyl-5-(N-methylaminothiocarbonyl)-4,6diaryl- 1,2-dihydropyridine-2-thiones.