9-benzyl-8-chloro-6-phenyl-9H-purine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 9-benzyl-8-chloro-6-phenyl-9H-purine
• 英文别名: 9-benzyl-8-chloro-6-phenylpurine
• 化学式: C₁₈H₁₃ClN₄
• 分子量: 320.781
• InChiKey: RXIPSJULTZHYKY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  43.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  6-氯-9-(苯基甲基)-9H-嘌呤 在 bis-triphenylphosphine-palladium(II) chloride N-氯代丁二酰亚胺 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 114.0h， 生成 9-benzyl-8-chloro-6-phenyl-9H-purine
  参考文献：
  名称：

  Regiochemistry in the Pd-Mediated Coupling between 6,8-Dihalopurines and Organometallic Reagents.

  摘要：

  The regiochemistry in the Pd-mediated coupling between 6,8-dihalopurines and organometallic reagents has been examined. When 6,8-dichloropurines were reacted. highly selective coupling in the purine 6-position was obtained and the regiochemical outcome was completely reversed when a better leaving group (Br or I) was introduced at C-8.

  DOI：

  10.3891/acta.chem.scand.53-0366

文献信息

• Regiochemistry in the Pd-Mediated Coupling between 6,8-Dihalopurines and Organometallic Reagents.
  作者：Jens M. J. Nolsøe、Lise-Lotte Gundersen、Frode Rise、Uffe Anthoni、Per H. Nielsen、Carsten Christophersen、Hong-Gen Wang、Xin-Kan Yao、Hong-Gen Wang、J. -P. Tuchagues、Mattias Ögren

  DOI：10.3891/acta.chem.scand.53-0366

  日期：——

  The regiochemistry in the Pd-mediated coupling between 6,8-dihalopurines and organometallic reagents has been examined. When 6,8-dichloropurines were reacted. highly selective coupling in the purine 6-position was obtained and the regiochemical outcome was completely reversed when a better leaving group (Br or I) was introduced at C-8.