2-(2-diethylaminoethylthio)-7-methyl-6-methylthiopurine | 1411565-41-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 2-(2-diethylaminoethylthio)-7-methyl-6-methylthiopurine
• 英文别名: N,N-diethyl-2-(7-methyl-6-methylsulfanylpurin-2-yl)sulfanylethanamine
• CAS: 1411565-41-7
• 化学式: C₁₃H₂₁N₅S₂
• 分子量: 311.475
• InChiKey: LVJNYRMSLCSTLD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  97.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-二乙氨基氯乙烷盐酸盐 在 二氯磷酸苯酯 、 potassium hydroxide 、 sodium hydroxide 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 7.33h， 生成 2-(2-diethylaminoethylthio)-7-methyl-6-methylthiopurine
  参考文献：
  名称：

  Synthesis of 2- and 6-(Dialkylaminoalkylthio)- and 2,6-Bis(dialkylaminoalkylthio)-7-methylpurines

  摘要：

  An efficient synthesis of 21 new thiopurines being 2-substituted 6-(dialkylaminoalkylthio)-7-methylpurines, 6-substituted 2-(dialkylaminoalkylthio)-7-methylpurines, and 2,6-bis(dialkylaminoalkylthio)-7-methylpurines was reported. 2-Substituted 6-(dialkylaminoalkylthio) and 2,6-bis(dialkylaminoalkylthio) derivatives were obtained via direct S-dialkylaminoalkylation of the appro- priate purinethiones. The different reactivities of the dialkylaminalkylthio groups in positions 2 and 6 towards sodium alkoxides were the key processes in a few step synthesis of 2-(dialkylaminoalkylthio) derivatives from 2,6-bis(dialkylaminoalkylthio) derivatives.

  DOI：

  10.3987/com-12-12546