3H,3h-全氟癸烷-2,4-二酮 | 147874-76-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3H,3h-全氟癸烷-2,4-二酮
• 英文名称: 1,1,1,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodecan-2,4-dione
• 英文别名: 1,1,1,5,5,6,6,7,7,8,8,9,9,10,10,10-Hexadecafluorodecane-2,4-dione
• CAS: 147874-76-8
• 化学式: C₁₀H₂F₁₆O₂
• 分子量: 458.099
• InChiKey: ZFNFUONJWJUELL-UHFFFAOYSA-N

物化性质

• 沸点：
  192.5±35.0 °C(Predicted)
• 密度：
  1.663±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  18

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38

反应信息

• 作为产物：
  描述：

  三氟乙酸乙酯 、 1H,1H,1H-全氟-2-辛酮 在 sodium ethanolate 作用下， 以 乙醚 为溶剂， 反应 60.0h， 以32%的产率得到3H,3h-全氟癸烷-2,4-二酮
  参考文献：
  名称：

  Synthesis and coordination chemistry of perfluoroalkyl-derivatised β-diketonates

  摘要：

  A series of fluorinated beta-diketones, RfC(O)CH2C(O)R-f, (R-f = C6F13, R-f, = CF3; R-f = R-f, = C6F13, C7F15), have been prepared in reasonable yields by a two-step synthesis. On reaction with appropriate metal substrates, deprotonation and concurrent coordination of the perfluoroalkyl-derivatised beta-diketonate ligands affords a range of fluorous metal complexes which have been characterised by elemental analysis, mass spectrometry, IR and NMR spectroscopies. The structures of [Cu(L-L)(2)(H2O)(2)] {L-L= CF3C(O)CHC(O)C6F13, C6F13C(O)CHC(O)C6F13} and [Cu(PPh3)(2){C7F15C(O)CHC(O)C7F15}] have been determined by single-crystal X-ray diffraction. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-1139(02)00251-8

文献信息

• Synthesis and coordination chemistry of perfluoroalkyl-derivatised β-diketonates
  作者：Ben Croxtall、John Fawcett、Eric G. Hope、Alison M. Stuart

  DOI：10.1016/s0022-1139(02)00251-8

  日期：2003.1

  A series of fluorinated beta-diketones, RfC(O)CH2C(O)R-f, (R-f = C6F13, R-f, = CF3; R-f = R-f, = C6F13, C7F15), have been prepared in reasonable yields by a two-step synthesis. On reaction with appropriate metal substrates, deprotonation and concurrent coordination of the perfluoroalkyl-derivatised beta-diketonate ligands affords a range of fluorous metal complexes which have been characterised by elemental analysis, mass spectrometry, IR and NMR spectroscopies. The structures of [Cu(L-L)(2)(H2O)(2)] L-L= CF3C(O)CHC(O)C6F13, C6F13C(O)CHC(O)C6F13} and [Cu(PPh3)(2)C7F15C(O)CHC(O)C7F15}] have been determined by single-crystal X-ray diffraction. (C) 2002 Elsevier Science B.V. All rights reserved.