4-(4-chloro-phenyl)-6-(3,4-dimethyl-phenyl)-2-thioxo-tetrahydro-pyrimidin-5-one | 1027136-30-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 4-(4-chloro-phenyl)-6-(3,4-dimethyl-phenyl)-2-thioxo-tetrahydro-pyrimidin-5-one
• 英文别名: 4-(4-Chlorophenyl)-6-(3,4-dimethylphenyl)-2-sulfanylidene-1,3-diazinan-5-one
• CAS: 1027136-30-6
• 化学式: C₁₈H₁₇ClN₂OS
• 分子量: 344.865
• InChiKey: RWTGGXRKIZRRJY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  73.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-(4-chloro-phenyl)-6-(3,4-dimethyl-phenyl)-2-thioxo-tetrahydro-pyrimidin-5-one 在 盐酸 、 sodium nitrate 作用下， 以 1,4-二氧六环 为溶剂， 反应 3.5h， 生成 5-(4-chloro-phenyl)-7-(3,4-dimethyl-phenyl)-2-(4-nitrophenyl-hydrazono)-tetrahydro-7H-thiazolo[3,2-a]pyrimidin-3,6-dione
  参考文献：
  名称：

  A Novel Synthesis of Some New Pyrimidine and Thiazolopyrimidine Derivatives for Anticancer Evaluation

  摘要：

  Diaryl-oxiran-2-yl methanones ( 2) were prepared and reacted with thiourea to give 2-thioxo-tetrahydro-pyrimidine-5(2H)-ones ( 3). The latter compounds reacted with bromoacetic acid to afford the title compounds ( 4). Also some new derivatives were prepared from the reaction of compounds ( 3) and ( 4) with different reagents. Compounds ( 3) were glycosidated with 2,3,4,6-tetra-O-acetyl-alpha-D-glucopyranosylbromide (alpha-ABG) to afford the corresponding nucleosides.

  DOI：

  10.1080/10426500701313912
• 作为产物：
  描述：

  3-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-propenone 在 氢氧化钾 、 sodium hydroxide 、 双氧水 作用下， 以 甲醇 、 乙醇 、 丙酮 为溶剂， 反应 4.0h， 生成 4-(4-chloro-phenyl)-6-(3,4-dimethyl-phenyl)-2-thioxo-tetrahydro-pyrimidin-5-one
  参考文献：
  名称：

  A Novel Synthesis of Some New Pyrimidine and Thiazolopyrimidine Derivatives for Anticancer Evaluation

  摘要：

  Diaryl-oxiran-2-yl methanones ( 2) were prepared and reacted with thiourea to give 2-thioxo-tetrahydro-pyrimidine-5(2H)-ones ( 3). The latter compounds reacted with bromoacetic acid to afford the title compounds ( 4). Also some new derivatives were prepared from the reaction of compounds ( 3) and ( 4) with different reagents. Compounds ( 3) were glycosidated with 2,3,4,6-tetra-O-acetyl-alpha-D-glucopyranosylbromide (alpha-ABG) to afford the corresponding nucleosides.

  DOI：

  10.1080/10426500701313912