9-n-butyl-6-(4-methoxyphenyl)-9Hpurine | 1314803-73-0

• 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-n-butyl-6-(4-methoxyphenyl)-9Hpurine
• 英文别名: 9-Butyl-6-(4-methoxyphenyl)purine
• CAS: 1314803-73-0
• 化学式: C₁₆H₁₈N₄O
• 分子量: 282.345
• InChiKey: MRXDYRAIXNWTQH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  52.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  碘苯 、 9-n-butyl-6-(4-methoxyphenyl)-9Hpurine 在 silver(I) acetate 、 palladium diacetate 、 溶剂黄146 作用下， 反应 60.0h， 以83%的产率得到9-butyl-6-(5-methoxy-[1,1'-biphenyl]-2-yl)-9H-purine
  参考文献：
  名称：

  Pd(II)-Catalyzed Ortho Arylation of 6-Arylpurines with Aryl Iodides via Purine-Directed C−H Activation: A New Strategy for Modification of 6-Arylpurine Derivatives

  摘要：

  Purine is utilized as a new directing group for the Pd-catalyzed monoarylation of 6-arylpurines with simple aryl iodides via C H bond activation in good yields, providing a complementary tool for the modification of 6-arylpurines (nucleosides). Most importantly, purine can be used as a building block for nucleoside derivatives, and the use of purine as a directing group helps avoid additional synthetic steps.

  DOI：

  10.1021/ol200405w

文献信息

• Bifurcated Nickel-Catalyzed Functionalizations: Heteroarene C−H Activation with Allenes
  作者：Sachiyo Nakanowatari、Thomas Müller、João C. A. Oliveira、Lutz Ackermann

  DOI：10.1002/anie.201709087

  日期：2017.12.11

  A unified strategy for nickel(0)‐catalyzed C−H allylations, alkenylations, and dienylations has been realized through versatile hydroarylations of allenes with ample scope. Thus, an inexpensive nickel catalyst modified with a N‐heterocyclic carbene ligand enabled the direct transformation of C−H bonds of biologically relevant imidazole and purine derivatives with full control of regio‐ and chemoselectivity

  镍（0）催化的CH烯丙基化，烯基化和二烯基化的统一策略已经通过具有足够范围的多烯键的多用途加氢芳基化实现。因此，一种廉价的用N杂环卡宾配体改性的镍催化剂能够直接控制生物学相关的咪唑和嘌呤衍生物的CH键，并完全控制区域和化学选择性。