1,1'-[(1E)-3-fluoroprop-1-ene-1,3-diyl]bis[benzene]

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 1,1'-[(1E)-3-fluoroprop-1-ene-1,3-diyl]bis[benzene]
• 英文别名: [(E)-1-fluoro-3-phenylprop-2-enyl]benzene
• 化学式: C₁₅H₁₃F
• 分子量: 212.267
• InChiKey: ACHWGHNEDSLDNR-VAWYXSNFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  1,1'-[(1E)-3-bromoprop-1-ene-1,3-diyl]bis[benzene] 在 potassium fluoride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 48.0h， 生成 ((1E,1'E)-oxybis(prop-1-ene-3,1,3-triyl))tetrabenzene 、 1,1'-[(1E)-3-fluoroprop-1-ene-1,3-diyl]bis[benzene]
  参考文献：
  名称：

  Carbon−Fluorine Bond Formationvia a Five-Coordinate Fluoro Complex of Ruthenium(II), Preliminary Communication

  摘要：

  The 16-electron. live-coordinate fluoro complex [RuF(dppp)(2)]PF6 (1a; dppp = propane-1,3-diylbis[diphenylphosphine] smoothly reacts with 19-diphenylallyl bromide (=1,1'-(3-bromoprop-1-enc-1,3-diyl)bis[benzene]) in dry CDCl3 to give 1,3-diphenylallyl fluoride and [RuBr(dppp)(2)](+) in nearly quantitative yield. Under similar conditions, bromide for chloride)/fluoride exchange also occurs with chlorotriphenylmethane, bromodiphenylmethane, and tert-butyl bromide. The crystal structure of 1a is reported.

  DOI：

  10.1002/(sici)1522-2675(19991215)82:12<2448::aid-hlca2448>3.0.co;2-g

文献信息

• Carbon−Fluorine Bond Formationvia a Five-Coordinate Fluoro Complex of Ruthenium(II), Preliminary Communication
  作者：Peter Barthazy、Lukas Hintermann、Robert M. Stoop、Michael Wörle、Antonio Mezzetti、Antonio Togni

  DOI：10.1002/(sici)1522-2675(19991215)82:12<2448::aid-hlca2448>3.0.co;2-g

  日期：1999.12.15

  The 16-electron. live-coordinate fluoro complex [RuF(dppp)(2)]PF6 (1a; dppp = propane-1,3-diylbis[diphenylphosphine] smoothly reacts with 19-diphenylallyl bromide (=1,1'-(3-bromoprop-1-enc-1,3-diyl)bis[benzene]) in dry CDCl3 to give 1,3-diphenylallyl fluoride and [RuBr(dppp)(2)](+) in nearly quantitative yield. Under similar conditions, bromide for chloride)/fluoride exchange also occurs with chlorotriphenylmethane, bromodiphenylmethane, and tert-butyl bromide. The crystal structure of 1a is reported.