4-(9-benzyl-9H-purin-6-yl)naphthalen-1-amine | 1241556-44-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 4-(9-benzyl-9H-purin-6-yl)naphthalen-1-amine
• 英文别名: 4-(9-Benzylpurin-6-yl)naphthalen-1-amine
• CAS: 1241556-44-4
• 化学式: C₂₂H₁₇N₅
• 分子量: 351.41
• InChiKey: LNJTYGDPZHGHIP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  69.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  6-氯-9-(苯基甲基)-9H-嘌呤 、 1-萘胺 在 aluminum (III) chloride 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 0.5h， 以25%的产率得到4-(9-benzyl-9H-purin-6-yl)naphthalen-1-amine
  参考文献：
  名称：

  Direct Synthesis of 6-Arylpurines by Reaction of 6-Chloropurines with Activated Aromatics

  摘要：

  Highly functionalized C6-aryl-substituted purine analogues were synthesized through direct arylation of 6-chloropurine with aromatics promoted by anhydrous AlCl(3) in a single step. The reactions, which were conducted using a 3-fold excess of AlCl(3) in refluxing 1,2-dichloroethane, gave moderate to excellent product yields in 0.5 h. This work is complementary to the classical coupling reactions for the synthesis of C6-aryl-substituted purine analogues.

  DOI：

  10.1021/jo1010334

文献信息

• Direct Synthesis of 6-Arylpurines by Reaction of 6-Chloropurines with Activated Aromatics
  作者：Hai-Ming Guo、Pu Li、Hong-Ying Niu、Dong-Chao Wang、Gui-Rong Qu

  DOI：10.1021/jo1010334

  日期：2010.9.3

  Highly functionalized C6-aryl-substituted purine analogues were synthesized through direct arylation of 6-chloropurine with aromatics promoted by anhydrous AlCl(3) in a single step. The reactions, which were conducted using a 3-fold excess of AlCl(3) in refluxing 1,2-dichloroethane, gave moderate to excellent product yields in 0.5 h. This work is complementary to the classical coupling reactions for the synthesis of C6-aryl-substituted purine analogues.