3-allyl-3H-benzo[4,5]imidazo[2,1-i]purine | 1393886-04-8

• 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: 3-allyl-3H-benzo[4,5]imidazo[2,1-i]purine
• 英文别名: 3-Prop-2-enylbenzimidazolo[2,1-f]purine；3-prop-2-enylbenzimidazolo[2,1-f]purine
• CAS: 1393886-04-8
• 化学式: C₁₄H₁₁N₅
• 分子量: 249.275
• InChiKey: JPXJFOHCEDEQJF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  48
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  N-phenyl-9-prop-2-enylpurin-6-amine 在 碘苯二乙酸 、 copper(II) bis(trifluoromethanesulfonate) 作用下， 以 乙酸酐 、 溶剂黄146 为溶剂， 反应 2.0h， 以80%的产率得到3-allyl-3H-benzo[4,5]imidazo[2,1-i]purine
  参考文献：
  名称：

  Copper-Catalyzed Synthesis of Purine-Fused Polycyclics

  摘要：

  A novel protocol for a Cu-catalyzed direct C-(sp2)-H activation/intramolecular amination reaction of 6-anilinopurine nucleosides has been developed. This approach provides a new access to a variety of multiheterocyclic compounds from purine compounds via Cu-catalyzed intramolecular N-H bond tautomerism which are endowed with fluorescence.

  DOI：

  10.1021/ol301848v

文献信息

• Copper-Catalyzed Synthesis of Purine-Fused Polycyclics
  作者：Gui-Rong Qu、Lei Liang、Hong-Ying Niu、Wei-Hao Rao、Hai-Ming Guo、John S. Fossey

  DOI：10.1021/ol301848v

  日期：2012.9.7

  A novel protocol for a Cu-catalyzed direct C-(sp2)-H activation/intramolecular amination reaction of 6-anilinopurine nucleosides has been developed. This approach provides a new access to a variety of multiheterocyclic compounds from purine compounds via Cu-catalyzed intramolecular N-H bond tautomerism which are endowed with fluorescence.