tert-butyl 2-(9-benzyl-9H-purin-6-yl)-4-phenylbutanoate | 1510826-32-0

• 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: tert-butyl 2-(9-benzyl-9H-purin-6-yl)-4-phenylbutanoate
• 英文别名: Tert-butyl 2-(9-benzylpurin-6-yl)-4-phenylbutanoate；tert-butyl 2-(9-benzylpurin-6-yl)-4-phenylbutanoate
• CAS: 1510826-32-0
• 化学式: C₂₆H₂₈N₄O₂
• 分子量: 428.534
• InChiKey: IFCIOMPOLGPFBK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  32
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  69.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  溴甲苯 在 四(三苯基膦)钯 、 三甲基氯硅烷 、 1,2-二溴乙烷 、 lithium chloride 、 锌 作用下， 以 四氢呋喃 为溶剂， 生成 tert-butyl 2-(9-benzyl-9H-purin-6-yl)-4-phenylbutanoate
  参考文献：
  名称：

  Highly Regioselective Three-Component Domino Heck–Negishi Coupling Reaction for the Functionalization of Purines at C6

  摘要：

  A highly regioselective three-component domino Heck-Negishi coupling reaction has been developed. Organozinc reagents are used to trap an alkylpalladium intermediate of olefins for a first example in the domino Heck reaction. This reaction is applicable to acrylates (or acrylamides) and purine compounds, producing a series of novel purine compounds with carbon substituents at the C6 position in moderate to good yields.

  DOI：

  10.1021/ol4032683

文献信息

• Highly Regioselective Three-Component Domino Heck–Negishi Coupling Reaction for the Functionalization of Purines at C6
  作者：Dong-Chao Wang、Hong-Ying Niu、Ming-Sheng Xie、Gui-Rong Qu、Hui-Xuan Wang、Hai-Ming Guo

  DOI：10.1021/ol4032683

  日期：2014.1.3

  A highly regioselective three-component domino Heck-Negishi coupling reaction has been developed. Organozinc reagents are used to trap an alkylpalladium intermediate of olefins for a first example in the domino Heck reaction. This reaction is applicable to acrylates (or acrylamides) and purine compounds, producing a series of novel purine compounds with carbon substituents at the C6 position in moderate to good yields.