3-benzoyl-7-methyl-5H-thiazolo[3,2-a]pyrimidin-5-one

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-benzoyl-7-methyl-5H-thiazolo[3,2-a]pyrimidin-5-one
• 英文别名: 3-benzoyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
• 化学式: C₁₄H₁₀N₂O₂S
• 分子量: 270.312
• InChiKey: SLBJESPUNCXBTF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  75
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  甲基硫脲嘧啶 、 3-溴-1-苯基丙-2-炔-1-酮 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 13.0h， 以75%的产率得到3-benzoyl-7-methyl-5H-thiazolo[3,2-a]pyrimidin-5-one
  参考文献：
  名称：

  Synthesis of 5H-thiazolo[3,2-a]pyrimidine derivatives from 6-methyl-2-thiouracil and 1-acyl-2-bromoacetylenes. X-ray structural study of 3-benzoyl-7-methyl-5H-thiazolo[3,2-a]pyrimidin-5-one

  摘要：

  3-Acyl-7-methyl-5H-thiazolo[3,2-a]pyrimidin-5-ones were synthesized by the reaction of 1-acyl-2-bromoacetylenes with 6-methyl-2-thiouracil, carried out with heating in DMF, dioxane, or acetonitrile in the presence of triethylamine. The structure of 3-benzoyl-7-methyl-5H-thiazolo[3,2-a]pyrimidin-5-one was established by X-ray structural analysis.

  DOI：

  10.1007/bf01430737

文献信息

• Synthesis of 5H-thiazolo[3,2-a]pyrimidine derivatives from 6-methyl-2-thiouracil and 1-acyl-2-bromoacetylenes. X-ray structural study of 3-benzoyl-7-methyl-5H-thiazolo[3,2-a]pyrimidin-5-one
  作者：V. N. Elokhina、A. S. Nakhmanovich、Z. V. Stepanova、V. A. Lopyrev、O. B. Bannikova、Yu. T. Struchkov、O. V. Shishkin

  DOI：10.1007/bf01430737

  日期：1996.9

  3-Acyl-7-methyl-5H-thiazolo[3,2-a]pyrimidin-5-ones were synthesized by the reaction of 1-acyl-2-bromoacetylenes with 6-methyl-2-thiouracil, carried out with heating in DMF, dioxane, or acetonitrile in the presence of triethylamine. The structure of 3-benzoyl-7-methyl-5H-thiazolo[3,2-a]pyrimidin-5-one was established by X-ray structural analysis.