4-cyclohexylamino-6-phenylthio-2-propylthiopyrimidine | 1314704-95-4

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 4-cyclohexylamino-6-phenylthio-2-propylthiopyrimidine
• 英文别名: N-cyclohexyl-6-phenylsulfanyl-2-propylsulfanylpyrimidin-4-amine
• CAS: 1314704-95-4
• 化学式: C₁₉H₂₅N₃S₂
• 分子量: 359.56
• InChiKey: IHBJQWJKYWQOKA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  24
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  88.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  6-amino-2-(propylsulfanyl)pyrimidin-4(3H)-one 在 N,N-二甲基苯胺 、 三乙胺 、 copper(l) chloride 、 三氯氧磷 、 亚硝酸异戊酯 作用下， 以 乙醇 、 乙腈 为溶剂， 反应 14.5h， 生成 4-cyclohexylamino-6-phenylthio-2-propylthiopyrimidine
  参考文献：
  名称：

  Novel synthesis approach and antiplatelet activity evaluation of 6-alkylamino-2,4-dialkyl(aryl)thiopyrimidines

  摘要：

  A new and efficient procedure has been designed for the preparation of 6-alkylamino-2,4-dialkyl(aryl) thiopyrimidines. The first alkylthio group was introduced into the pyrimidine ring by S-alkylation. The introduction of the second one was successfully achieved using the diazotization-alkylthionation method to afford 2,4-dialkyl(aryl)thio-6-chloropyrimidines. Subsequent nucleophilic displacement by the corresponding amines conveniently gave a series of the target compounds. Thus, the two same or different alkylthio groups were easily introduced into the pyrimidine ring through the two different approaches. The human anti-platelet aggregation activity of the newly synthesized compounds is also described. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.05.056