5-(4-chloro-phenyl)-7-(3,4-dimethyl-phenyl)-tetrahydro-7H-thiazolo[3,2-a]pyrimidine-3,6-dione | 1027136-32-8

• 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-(4-chloro-phenyl)-7-(3,4-dimethyl-phenyl)-tetrahydro-7H-thiazolo[3,2-a]pyrimidine-3,6-dione
• 英文别名: 5-(4-Chlorophenyl)-7-(3,4-dimethylphenyl)-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-3,6-dione
• CAS: 1027136-32-8
• 化学式: C₂₀H₁₇ClN₂O₂S
• 分子量: 384.886
• InChiKey: GZUINVGIZKVXLY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  26
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  75
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-(4-chloro-phenyl)-7-(3,4-dimethyl-phenyl)-tetrahydro-7H-thiazolo[3,2-a]pyrimidine-3,6-dione 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以50%的产率得到4-(4-chloro-phenyl)-6-(3,4-dimethyl-phenyl)-5,6-dihydropyrimidin-2-yl-thioacetylhydrazide
  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-chloro-phenyl)-oxiran-2-yl]-(3,4-dimethyl-phenyl)-methanone 在 氢氧化钾 作用下， 以 1,4-二氧六环 、 乙醇 为溶剂， 反应 7.0h， 生成 5-(4-chloro-phenyl)-7-(3,4-dimethyl-phenyl)-tetrahydro-7H-thiazolo[3,2-a]pyrimidine-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