1-methyl-4-((1E,6E)-7-phenyl-4-(phenylsulfonyl)-4-(trifluoromethyl)hepta-1,6-dienyl)benzene | 1414925-94-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 1-methyl-4-((1E,6E)-7-phenyl-4-(phenylsulfonyl)-4-(trifluoromethyl)hepta-1,6-dienyl)benzene
• 英文别名: 1-[(1E,6E)-4-(benzenesulfonyl)-7-phenyl-4-(trifluoromethyl)hepta-1,6-dienyl]-4-methylbenzene
• CAS: 1414925-94-2
• 化学式: C₂₇H₂₅F₃O₂S
• 分子量: 470.556
• InChiKey: VDLIXPWYHVUYMP-QHKWOANTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.7
• 重原子数：
  33
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  42.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2,2,2-trifluoroethyl phenyl sulfide 在 四(三苯基膦)钯 、 双氧水 作用下， 以 四氢呋喃 、 溶剂黄146 为溶剂， 反应 47.0h， 生成 1-methyl-4-((1E,6E)-7-phenyl-4-(phenylsulfonyl)-4-(trifluoromethyl)hepta-1,6-dienyl)benzene
  参考文献：
  名称：

  Palladium-catalyzed allylation of 2,2,2-trifluoroethyl phenyl sulfone, a potential 2,2,2-trifluoroethyl pronucleophile

  摘要：

  A palladium-catalyzed allylation reaction of PhSO2CH2CF3 (2) with a variety of allyl carbonates has been successfully developed for selective 2,2,2-trifluoroethylation under neutral conditions. With this method, the 1-phenylsulfonyl-2,2,2-trifluoroethyl moiety was efficiently transferred into organic compounds without the competing 13-elimination of fluoride, to afford a range of mono-allylated and di-allylated compounds. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.09.094

文献信息

• Palladium-catalyzed allylation of 2,2,2-trifluoroethyl phenyl sulfone, a potential 2,2,2-trifluoroethyl pronucleophile
  作者：Wei Zhang、Yanchuan Zhao、Chuanfa Ni、Thomas Mathew、Jinbo Hu

  DOI：10.1016/j.tetlet.2012.09.094

  日期：2012.11

  A palladium-catalyzed allylation reaction of PhSO2CH2CF3 (2) with a variety of allyl carbonates has been successfully developed for selective 2,2,2-trifluoroethylation under neutral conditions. With this method, the 1-phenylsulfonyl-2,2,2-trifluoroethyl moiety was efficiently transferred into organic compounds without the competing 13-elimination of fluoride, to afford a range of mono-allylated and di-allylated compounds. (C) 2012 Elsevier Ltd. All rights reserved.