2-[(6-oxo-5-propyl-1H-pyrimidin-2-yl)disulfanyl]-5-propyl-1H-pyrimidin-6-one | 1224508-47-7

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-[(6-oxo-5-propyl-1H-pyrimidin-2-yl)disulfanyl]-5-propyl-1H-pyrimidin-6-one
• CAS: 1224508-47-7
• 化学式: C₁₄H₁₈N₄O₂S₂
• 分子量: 338.455
• InChiKey: VBYFQICDXCAJFA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  134
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  原儿茶酸(3,4-二羟基苯甲酸) 在 ferric hydrogen sulfate 、 二甲基亚砜 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以65%的产率得到2-[(6-oxo-5-propyl-1H-pyrimidin-2-yl)disulfanyl]-5-propyl-1H-pyrimidin-6-one
  参考文献：
  名称：

  Fe(HSO₄)₃ and Fe(HSO₄)₃/DMSO as Efficient, Heterogeneous, and Reusable Catalyst Systems for the Oxidative Coupling of Thiols

  摘要：

  Fe(HSO4)(3) has been used as a heterogeneous, efficient, and recyclable catalyst in ethanol for the selective oxidation of thiols to their corresponding disulfides. The same results were obtained under identical conditions using catalytic amounts of Fe(HSO4)(3) in the presence of DMSO. Different types of aliphatic, aromatic, and heteroaromatic thiols have been used in the reaction, and in all cases the products were obtained in good to excellent yields.

  DOI：

  10.1080/10426500802704654