1-(3',4'-dimethoxy)-phenyl-4-(4''-ethyl)-phenyl-2-trifluoromethylbenzene | 1343405-10-6

• 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: 1-(3',4'-dimethoxy)-phenyl-4-(4''-ethyl)-phenyl-2-trifluoromethylbenzene
• 英文别名: 1-(3,4-Dimethoxyphenyl)-4-(4-ethylphenyl)-2-(trifluoromethyl)benzene；1-(3,4-dimethoxyphenyl)-4-(4-ethylphenyl)-2-(trifluoromethyl)benzene
• CAS: 1343405-10-6
• 化学式: C₂₃H₂₁F₃O₂
• 分子量: 386.414
• InChiKey: WROQKYWKEJAQOS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2,5-二溴三氟甲苯 、 4-乙基苯硼酸 在 四(三苯基膦)钯 、 potassium carbonate 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 16.0h， 生成 1-(3',4'-dimethoxy)-phenyl-4-(4''-ethyl)-phenyl-2-trifluoromethylbenzene
  参考文献：
  名称：

  Synthesis of trifluoromethyl-substituted bi- and terphenyls by site-selective Suzuki–Miyaura reactions of various dihalogenated trifluoromethyl-benzene derivatives

  摘要：

  A variety of trifluoromethylated bi- and terphenyls were prepared by site-selective Suzuki-Miyaura cross-coupling reactions of various dihalogenated trifluoromethyl-substituted benzene derivatives. The reactions proceed with excellent site-selectivities. (c) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2012.11.005

文献信息

• Synthesis of Trifluoromethyl-Substituted Di- and Terphenyls by Site-Selective Suzuki-Miyaura Reactions of 1,4-Dibromo-2-trifluoromethyl-benzene
  作者：Peter Langer、Ihsan Ullah、Muhammad Nawaz、Alexander Villinger

  DOI：10.1055/s-0030-1260956

  日期：2011.8

  The Suzuki-Miyaura reaction of 1,4-dibromo-2-(trifluoromethyl)benzene provides a convenient route for the synthesis of various trifluoromethylated di- and terphenyls. The reactions proceed with excellent site selectivity in favor of the 4-position due to steric and electronic reasons.

  溴代二-(三氟甲基)苯的铃木-宫浦反应为合成各种三氟甲基化的联苯和三联苯提供了一条便捷途径。反应由于空间和电子原因，呈现出极佳的位点选择性，优先发生在4位。
• Synthesis of trifluoromethyl-substituted bi- and terphenyls by site-selective Suzuki–Miyaura reactions of various dihalogenated trifluoromethyl-benzene derivatives
  作者：Iftikhar Ali、Baraa Siyo、Zahid Hassan、Imran Malik、Ihsan Ullah、Asad Ali、Muhammad Nawaz、Jamshed Iqbal、Tamás Patonay、Alexander Villinger、Peter Langer

  DOI：10.1016/j.jfluchem.2012.11.005

  日期：2013.1

  A variety of trifluoromethylated bi- and terphenyls were prepared by site-selective Suzuki-Miyaura cross-coupling reactions of various dihalogenated trifluoromethyl-substituted benzene derivatives. The reactions proceed with excellent site-selectivities. (c) 2012 Elsevier B.V. All rights reserved.