6-Phenyl-5-(2-phenylethynyl)benzimidazolo[2,1-a]isoquinoline | 1260152-41-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 6-Phenyl-5-(2-phenylethynyl)benzimidazolo[2,1-a]isoquinoline
• CAS: 1260152-41-7
• 化学式: C₂₉H₁₈N₂
• 分子量: 394.475
• InChiKey: BRFXOMKOVXRIPU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.1
• 重原子数：
  31
• 可旋转键数：
  3
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  17.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  2-苯基乙炔基苯甲醛 在 copper(l) iodide 、 PdCl2(AsPh3)2 、 碘 、 三乙胺 作用下， 以 二甲基亚砜 为溶剂， 反应 36.0h， 生成 6-Phenyl-5-(2-phenylethynyl)benzimidazolo[2,1-a]isoquinoline
  参考文献：
  名称：

  CuI/I₂-Promoted Electrophilic Tandem Cyclization of 2-Ethynylbenzaldehydes with ortho-Benzenediamines: Synthesis of Iodoisoquinoline-Fused Benzimidazoles

  摘要：

  An efficient tandem route to the synthesis of iodoisoquinoline-fused benzimidazole derivatives including an iodocyclization strategy has been developed. In the presence of CuI, a variety of 2-ethynylbenzaldehydes underwent the tandem reaction with benzenediamines and iodine to afford the corresponding iodoisoquinoline-fused benzimidazoles in moderate to good yields.

  DOI：

  10.1021/jo102060j

文献信息

• CuI/I₂-Promoted Electrophilic Tandem Cyclization of 2-Ethynylbenzaldehydes with <i>ortho</i>-Benzenediamines: Synthesis of Iodoisoquinoline-Fused Benzimidazoles
  作者：Huang-Che Ouyang、Ri-Yuan Tang、Ping Zhong、Xing-Guo Zhang、Jin-Heng Li

  DOI：10.1021/jo102060j

  日期：2011.1.7

  An efficient tandem route to the synthesis of iodoisoquinoline-fused benzimidazole derivatives including an iodocyclization strategy has been developed. In the presence of CuI, a variety of 2-ethynylbenzaldehydes underwent the tandem reaction with benzenediamines and iodine to afford the corresponding iodoisoquinoline-fused benzimidazoles in moderate to good yields.