(Z)-1,1,1-trifluoro-4-(phenylamino)-4-(4-(phenylethynyl)phenyl)but-3-en-2-one

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: (Z)-1,1,1-trifluoro-4-(phenylamino)-4-(4-(phenylethynyl)phenyl)but-3-en-2-one
• 英文别名: (Z)-4-anilino-1,1,1-trifluoro-4-[4-(2-phenylethynyl)phenyl]but-3-en-2-one
• 化学式: C₂₄H₁₆F₃NO
• 分子量: 391.392
• InChiKey: PCVIYOVHRGKXSF-XLNRJJMWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  三氟化硼乙醚 、 (Z)-1,1,1-trifluoro-4-(phenylamino)-4-(4-(phenylethynyl)phenyl)but-3-en-2-one 在 三乙胺 作用下， 以 乙腈 为溶剂， 反应 5.0h， 以70%的产率得到2,2-difluoro-3-phenyl-4-(4-(phenylethynyl)phenyl)-6-(trifluoromethyl)-2H-1,3,2-oxazaborinin-3-ium-2-uide
  参考文献：
  名称：

  Trifluoromethyl-derived enaminones and their difluoroboron complexes: Synthesis, crystal structure and electrochemistry properties

  摘要：

  Twelve trifluoromethylated enaminones including seven N,O-bidentate, three N,O,O- and one N,N,O-tridentate, and one N,N,O,O-tetradentate ligands that can include multiple coordination centers as well as redox-active and photosensitive units have been prepared. Seven new difluoroboron complexes 23-29 were prepared by the reaction of BF3 center dot OEt2 in acetonitrile in the presence of Et3N with five bidentate ligands, one tridentate ligand and one tetradentate ligand. Their crystal structure, UV-vis absorption and redox properties have been studied. The role of the trifluoromethyl and difluoroboron moieties and their ability to form F-H intra- and inter-complexes bonds leading to multidimensional networks have been also featured. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2014.07.005
• 作为产物：
  描述：

  苯乙炔 在 copper(l) iodide 、 trans-bis(triphenylphosphine)palladium dichloride 、 三乙胺 作用下， 以 甲苯 、 乙腈 为溶剂， 反应 13.0h， 生成 (Z)-1,1,1-trifluoro-4-(phenylamino)-4-(4-(phenylethynyl)phenyl)but-3-en-2-one
  参考文献：
  名称：

  Trifluoromethyl-derived enaminones and their difluoroboron complexes: Synthesis, crystal structure and electrochemistry properties

  摘要：

  Twelve trifluoromethylated enaminones including seven N,O-bidentate, three N,O,O- and one N,N,O-tridentate, and one N,N,O,O-tetradentate ligands that can include multiple coordination centers as well as redox-active and photosensitive units have been prepared. Seven new difluoroboron complexes 23-29 were prepared by the reaction of BF3 center dot OEt2 in acetonitrile in the presence of Et3N with five bidentate ligands, one tridentate ligand and one tetradentate ligand. Their crystal structure, UV-vis absorption and redox properties have been studied. The role of the trifluoromethyl and difluoroboron moieties and their ability to form F-H intra- and inter-complexes bonds leading to multidimensional networks have been also featured. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2014.07.005

文献信息

• Trifluoromethyl-derived enaminones and their difluoroboron complexes: Synthesis, crystal structure and electrochemistry properties
  作者：Nicolas Chopin、Guillaume Pilet、Yasushi Morita、Maurice Médebielle

  DOI：10.1016/j.jfluchem.2014.07.005

  日期：2014.11

  Twelve trifluoromethylated enaminones including seven N,O-bidentate, three N,O,O- and one N,N,O-tridentate, and one N,N,O,O-tetradentate ligands that can include multiple coordination centers as well as redox-active and photosensitive units have been prepared. Seven new difluoroboron complexes 23-29 were prepared by the reaction of BF3 center dot OEt2 in acetonitrile in the presence of Et3N with five bidentate ligands, one tridentate ligand and one tetradentate ligand. Their crystal structure, UV-vis absorption and redox properties have been studied. The role of the trifluoromethyl and difluoroboron moieties and their ability to form F-H intra- and inter-complexes bonds leading to multidimensional networks have been also featured. (C) 2014 Elsevier B.V. All rights reserved.