2-(2-benzyl-6-methylphenyl)-4,5-dihydrooxazole | 1192764-77-4

• 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-(2-benzyl-6-methylphenyl)-4,5-dihydrooxazole
• 英文别名: 2-(2-Benzyl-6-methylphenyl)-4,5-dihydro-1,3-oxazole；2-(2-benzyl-6-methylphenyl)-4,5-dihydro-1,3-oxazole
• CAS: 1192764-77-4
• 化学式: C₁₇H₁₇NO
• 分子量: 251.328
• InChiKey: QSHVNTLZCRVHDF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  21.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  氯化苄 、 2-(o-tolyl)-4,5-dihydrooxazole 在 1-金刚烷甲酸 、 [RuCl₂(p-cymene)]2 、 potassium carbonate 作用下， 以 甲苯 为溶剂， 反应 20.0h， 以81%的产率得到2-(2-benzyl-6-methylphenyl)-4,5-dihydrooxazole
  参考文献：
  名称：

  Regioselective Ruthenium-Catalyzed Direct Benzylations of Arenes through C−H Bond Cleavages

  摘要：

  Highly regioselective ruthenium-catalyzed direct benzylations through C-H bond cleavages were accomplished under remarkably mild, nonacidic reaction conditions, for which experimental studies suggested a SEAr-type mechanism not to be operative.

  DOI：

  10.1021/ol902115f

文献信息

• Regioselective Ruthenium-Catalyzed Direct Benzylations of Arenes through C−H Bond Cleavages
  作者：Lutz Ackermann、Petr Novák

  DOI：10.1021/ol902115f

  日期：2009.11.5

  Highly regioselective ruthenium-catalyzed direct benzylations through C-H bond cleavages were accomplished under remarkably mild, nonacidic reaction conditions, for which experimental studies suggested a SEAr-type mechanism not to be operative.