6-benzylthio-5-nitro-1-propyluracil | 193196-55-3

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 6-benzylthio-5-nitro-1-propyluracil
• 英文别名: 6-Benzylsulfanyl-5-nitro-1-propylpyrimidine-2,4-dione
• CAS: 193196-55-3
• 化学式: C₁₄H₁₅N₃O₄S
• 分子量: 321.357
• InChiKey: FZNINJBLLBUWCX-UHFFFAOYSA-N

物化性质

• 密度：
  1.39±0.1 g/cm3(Predicted)

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：
  0.29
• 拓扑面积：
  121
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  6-benzylthio-5-nitro-1-propyluracil 在 三乙胺 作用下， 以 乙醇 为溶剂， 反应 12.0h， 以67%的产率得到2-phenyl-4-propylthiazolo<5,4.d>pyrimidine-5,7(4H)-dione-1-oxide
  参考文献：
  名称：

  SYNTHESIS OF NEW 4-ALKYLTHIAZOLO[5,4.D] PYRIMIDINE-1-OXIDES

  摘要：

  6-Chloro-1-methyluracil 1 was treated with various butyl and benzyl mercaptans to give 6-substituted-1-methyluracils 2a-d which were nitrated to yield the corresponding 5-nitro derivatives 3a-d. These were cyclized to 2-substituted-4-methylthiazolo[5,4-d] pyrimidine-5,7(4H)-dione-1-oxides 4a-c. On the other hand. the reaction of 6-chloro-5-nitro-1-propyluracil 6 with the above mentioned reagents afforded 6-substituted-5-nitro-1-propyuracils 7a-d which were cyclized similarly to give the corresponding 2-substituted-4-propylthiazolo[5,4-d]pyrimidine-5,7 (4H)-dione-1-oxide derivatives 8a-d. The structures of these compounds were elucidated by H-1 nmr, uv, mass spectra and elemental analysis.

  DOI：

  10.1080/10426509808035745
• 作为产物：
  描述：

  苄硫醇 、 6-chloro-5-nitro-1-propyluracil 在 potassium carbonate 作用下， 以 乙醇 为溶剂， 反应 8.0h， 以46%的产率得到6-benzylthio-5-nitro-1-propyluracil
  参考文献：
  名称：

  SYNTHESIS OF NEW 4-ALKYLTHIAZOLO[5,4.D] PYRIMIDINE-1-OXIDES

  摘要：

  6-Chloro-1-methyluracil 1 was treated with various butyl and benzyl mercaptans to give 6-substituted-1-methyluracils 2a-d which were nitrated to yield the corresponding 5-nitro derivatives 3a-d. These were cyclized to 2-substituted-4-methylthiazolo[5,4-d] pyrimidine-5,7(4H)-dione-1-oxides 4a-c. On the other hand. the reaction of 6-chloro-5-nitro-1-propyluracil 6 with the above mentioned reagents afforded 6-substituted-5-nitro-1-propyuracils 7a-d which were cyclized similarly to give the corresponding 2-substituted-4-propylthiazolo[5,4-d]pyrimidine-5,7 (4H)-dione-1-oxide derivatives 8a-d. The structures of these compounds were elucidated by H-1 nmr, uv, mass spectra and elemental analysis.

  DOI：

  10.1080/10426509808035745