2-(4,4''-dimethoxy-6'-fluoro-[1,1':3',1'']-terphenyl-2'-yl)-4,5-dihydrooxyzole | 1251668-28-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(4,4''-dimethoxy-6'-fluoro-[1,1':3',1'']-terphenyl-2'-yl)-4,5-dihydrooxyzole
• 英文别名: 2-[3-Fluoro-2,6-bis(4-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazole；2-[3-fluoro-2,6-bis(4-methoxyphenyl)phenyl]-4,5-dihydro-1,3-oxazole
• CAS: 1251668-28-6
• 化学式: C₂₃H₂₀FNO₃
• 分子量: 377.415
• InChiKey: LNWIVUWGNYUSMI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  40
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-氯苯甲醚 、 2-(3-fluorophenyl)-4,5-dihydrooxazole 在 (p-伞花烃)双(均三甲苯羧基)钌(II) 、 potassium carbonate 作用下， 以 甲苯 为溶剂， 反应 18.0h， 以56%的产率得到2-(6-fluoro-4'-methoxybiphenyl-2-yl)-4,5-dihydrooxazole
  参考文献：
  名称：

  Mechanistic Insight into Direct Arylations with Ruthenium(II) Carboxylate Catalysts

  摘要：

  Mechanistic studies revealed ruthenium-catalyzed direct arylations to proceed through reversible C-H bond activation and subsequent rate-limiting oxidative addition with aryl halides, which led to the development of widely applicable well-defined ruthenium(II) carboxylate catalysts.

  DOI：

  10.1021/ol102187e

文献信息

• Mechanistic Insight into Direct Arylations with Ruthenium(II) Carboxylate Catalysts
  作者：Lutz Ackermann、Rubén Vicente、Harish K. Potukuchi、Valentina Pirovano

  DOI：10.1021/ol102187e

  日期：2010.11.5

  Mechanistic studies revealed ruthenium-catalyzed direct arylations to proceed through reversible C-H bond activation and subsequent rate-limiting oxidative addition with aryl halides, which led to the development of widely applicable well-defined ruthenium(II) carboxylate catalysts.