2-(4'-trifluoromethyl-3-methyl-biphenyl-2-yl)-4,5-dihydro-oxazole | 1078710-20-9

• 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'-trifluoromethyl-3-methyl-biphenyl-2-yl)-4,5-dihydro-oxazole
• 英文别名: 2-[2-Methyl-6-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole；2-[2-methyl-6-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole
• CAS: 1078710-20-9
• 化学式: C₁₇H₁₄F₃NO
• 分子量: 305.299
• InChiKey: BUWYPKHHIHESGO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  22
• 可旋转键数：
  2
• 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：
  5

反应信息

• 作为产物：
  描述：

  对三氟甲基苯酚 、 2-(o-tolyl)-4,5-dihydrooxazole 在 1,3-bis(2,6-diisopropylphenyl)-1,3,2-diazaphospholidine-2-oxide 、 [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂ 、 potassium carbonate 、 对甲苯磺酰氯 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 反应 18.08h， 以86%的产率得到2-(4'-trifluoromethyl-3-methyl-biphenyl-2-yl)-4,5-dihydro-oxazole
  参考文献：
  名称：

  Dehydrative Direct Arylations of Arenes with Phenols via Ruthenium-Catalyzed C−H and C−OH Bond Functionalizations

  摘要：

  Phenols can be employed as proelectrophiles in operationally simple ruthenium-catalyzed dehydrative direct arylations, proceeding through chemo- and regioselective functionalizations of C-H and C-OH bonds.

  DOI：

  10.1021/ol802252m

文献信息

• Dehydrative Direct Arylations of Arenes with Phenols via Ruthenium-Catalyzed C−H and C−OH Bond Functionalizations
  作者：Lutz Ackermann、Michael Mulzer

  DOI：10.1021/ol802252m

  日期：2008.11.6

  Phenols can be employed as proelectrophiles in operationally simple ruthenium-catalyzed dehydrative direct arylations, proceeding through chemo- and regioselective functionalizations of C-H and C-OH bonds.