4-(异喹啉-4-基)苯甲腈 | 1023549-76-9

• 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
• 中文名称: 4-(异喹啉-4-基)苯甲腈
• 英文名称: 4-(isoquinolin-4-yl)benzonitrile
• 英文别名: 4-(4-Isoquinolyl)benzonitrile；4-isoquinolin-4-ylbenzonitrile
• CAS: 1023549-76-9
• 化学式: C₁₆H₁₀N₂
• 分子量: 230.269
• InChiKey: DHNLXQLVANSLJK-UHFFFAOYSA-N

物化性质

• 熔点：
  100-101 °C
• 沸点：
  423.5±33.0 °C(Predicted)
• 密度：
  1.23±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  36.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  对氯苯甲腈 、 potassium (isoquinolin-4-yl)trifluoroborate 在 palladium diacetate 、 sodium carbonate 、 2-二环己基磷-2',6'-二异丙氧基-1,1'-联苯 作用下， 以 乙醇 为溶剂， 反应 24.0h， 以85%的产率得到4-(异喹啉-4-基)苯甲腈
  参考文献：
  名称：

  Scope of the Suzuki−Miyaura Cross-Coupling Reactions of Potassium Heteroaryltrifluoroborates

  摘要：

  A wide variety of bench-stable potassium heteroaryltrifluoroborates were prepared, and general reaction conditions were developed for their cross-coupling to aryl and heteroaryl halides. The cross-coupled products were obtained in good to excellent yields. This method represents an efficient and facile installation of heterocyclic building blocks onto preexisting organic substructures.

  DOI：

  10.1021/jo802590b

文献信息

• Scope of the Suzuki−Miyaura Cross-Coupling Reactions of Potassium Heteroaryltrifluoroborates
  作者：Gary A. Molander、Belgin Canturk、Lauren E. Kennedy

  DOI：10.1021/jo802590b

  日期：2009.2.6

  A wide variety of bench-stable potassium heteroaryltrifluoroborates were prepared, and general reaction conditions were developed for their cross-coupling to aryl and heteroaryl halides. The cross-coupled products were obtained in good to excellent yields. This method represents an efficient and facile installation of heterocyclic building blocks onto preexisting organic substructures.