2-(4'-fluorobiphenyl-2-yl)-1-methyl-1H-imidazole | 1046784-32-0

• 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'-fluorobiphenyl-2-yl)-1-methyl-1H-imidazole
• 英文别名: 2-(4'-fluorobiphenyl-2-yl)-1-methylimidazole；2-[2-(4-Fluorophenyl)phenyl]-1-methylimidazole；2-[2-(4-fluorophenyl)phenyl]-1-methylimidazole
• CAS: 1046784-32-0
• 化学式: C₁₆H₁₃FN₂
• 分子量: 252.291
• InChiKey: KMSWSOQSAJQOCE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  17.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-甲基-2-苯基-1H-咪唑 、 1-氯-4-氟苯 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86%的产率得到2-(4'-fluorobiphenyl-2-yl)-1-methyl-1H-imidazole
  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

• Rhodium-catalyzed regioselective arylation of phenylazoles and related compounds with arylboron reagents via C–H bond cleavage
  作者：Sawako Miyamura、Hayato Tsurugi、Tetsuya Satoh、Masahiro Miura

  DOI：10.1016/j.jorganchem.2008.04.029

  日期：2008.7

  The rhodium-catalyzed direct ortho-arylation reactions of phenylazoles using arylboron reagents such as tetraarylborates were examined. Ethyl chloroacetate and potassium fluoride were found to effectively act as a hydrogen acceptor and a promoter, respectively, to afford selective formation of the corresponding mono- or diarylated products with good yields. In addition, azobenzene as well as 2-phenylpyridine also underwent the direct arylation under similar conditions. (C) 2008 Elsevier B.V. All rights reserved.