6-fluoro-1-methyl-3,4-diphenylisoquinoline 2-oxide | 1523451-30-0

• 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-fluoro-1-methyl-3,4-diphenylisoquinoline 2-oxide
• 英文别名: 6-Fluoro-1-methyl-2-oxido-3,4-diphenylisoquinolin-2-ium；6-fluoro-1-methyl-2-oxido-3,4-diphenylisoquinolin-2-ium
• CAS: 1523451-30-0
• 化学式: C₂₂H₁₆FNO
• 分子量: 329.374
• InChiKey: FJYNCQYMCKUSJE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  25.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-氟苯乙酮肟 、 二苯基乙炔 在 palladium diacetate 、 三氟乙酸 、 zinc dibromide 作用下， 以 1,4-二氧六环 、 氯苯 为溶剂， 反应 8.0h， 以50%的产率得到6-fluoro-1-methyl-3,4-diphenylisoquinoline 2-oxide
  参考文献：
  名称：

  Isoquinoline N-Oxide Synthesis under Pd-Catalysed C-H Activation/Annulation Processes

  摘要：

  An oxime directed C-H activation-annulation reaction for the selective synthesis of a range of isoquinoline N-oxides has been developed. Under palladium-catalyzed acid-assisted conditions, the reaction undergoes concerted metallation deprotonation followed by carbopalladation and transmetallation to give polysubstituted isoquinoline N-oxides in moderate to good yields.

  DOI：

  10.1055/s-0033-1339671

文献信息

• Isoquinoline N-Oxide Synthesis under Pd-Catalysed C-H Activation/Annulation Processes
  作者：Jianhui Huang、Bingyao Li、Pingxuan Jiao、Hongban Zhong

  DOI：10.1055/s-0033-1339671

  日期：——

  An oxime directed C-H activation-annulation reaction for the selective synthesis of a range of isoquinoline N-oxides has been developed. Under palladium-catalyzed acid-assisted conditions, the reaction undergoes concerted metallation deprotonation followed by carbopalladation and transmetallation to give polysubstituted isoquinoline N-oxides in moderate to good yields.