1,1,1,5,5,5-六氟-3-(1,2,2,2-四氟-1-三氟甲基-乙基)-4-三氟甲基-戊-3-烯-2-酮 | 77946-95-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1,1,1,5,5,5-六氟-3-(1,2,2,2-四氟-1-三氟甲基-乙基)-4-三氟甲基-戊-3-烯-2-酮
• 英文名称: 1,1,1,5,5,5-hexafluoro-3-(1,2,2,2-tetrafluoro-1-trifluoromethyl-ethyl)-4-trifluoromethyl-pent-3-en-2-one
• 英文别名: Perfluoro-3-isopropyl-4-methyl-3-penten-2-one；1,1,1,5,5,5-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-3-en-2-one
• CAS: 77946-95-3
• 化学式: C₉F₁₆O
• 分子量: 428.073
• InChiKey: BKIUIJSSLVTYPR-UHFFFAOYSA-N

物化性质

• 沸点：
  146.6±40.0 °C(Predicted)
• 密度：
  1.679±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  26
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  17

反应信息

• 作为反应物：
  描述：

  1,1,1,5,5,5-六氟-3-(1,2,2,2-四氟-1-三氟甲基-乙基)-4-三氟甲基-戊-3-烯-2-酮 生成 三氟甲基自由基
  参考文献：
  名称：

  TUMANSKIJ, B. L.;GERVITS, L. L.;SOLODOVNIKOV, S. P.;MAKAROV, K. N.;LANTSE+, IZV. AN CCCP. CEP. XIM.,(1989) N, S. 1397-1399

  摘要：

  DOI：
• 作为产物：
  描述：

  1,1,1,4,4,5,5,5-八氟-3-(1,1,1,2,3,3,3-七氟丙烷-2-基)-2-(三氟甲基)戊-2-烯 在 perfluoro-2,4-dimethyl-3-ethyl-2-pentene 、 丙酮肟 作用下， 生成 1,1,1,5,5,5-六氟-3-(1,2,2,2-四氟-1-三氟甲基-乙基)-4-三氟甲基-戊-3-烯-2-酮
  参考文献：
  名称：

  Reaction of hexafluoropropylene and its oligomers with acetone oxime

  摘要：

  Reactions of perfluoropropylene and its oligomers with acetone oxime in the presence of a base afford perfluoroalkyl and/or perfluoroalkenyl ethers of acetone oxime. When heated to 100 degrees C, the 3-perfluoro-2-methyl-2-pentenyl ether of acetone oxime (3) is quantitatively converted to 4-hydroxy-3-methyl-5,5-bistrifluoromethyl-4-pentafluoroethyl-1-pyrroline (4), the structure of which was established by X-ray diffraction analysis. A convenient one-stage synthesis of perfluoro-3-isopropyl-4-methyl-3-penten-2-one (7) was proposed.

  DOI：

  10.1007/bf01558067

文献信息

• ESR study of radicals formed by the reduction of α-diketones C(O)C(O)CF3 (R=(CF3)2CF, C6F5, (CF3)3C) with several group I–III metals
  作者：E. N. Shaposhnikova、S. R. Sterlin、S. P. Solodovnikov、N. N. Bubnov、I. V. Stankevich、A. L. Chistyakov、B. L. Tumanskii

  DOI：10.1007/bf02494272

  日期：1998.11

  anions formed by reduction of α-diketones RC(O)C(O)CF3 (R=(CF3)2CF, C6F5, (CF3)3C) with metals (Li, Na, K, Mg, Cd, Zn, Hg, In, and TI) in THF were studied. For R=(CF3)2CF and C6F5, the radical anions are formed ascis-isomers, whereas for R=(CF3)3C,trans-isomers are obtained. Line broadening due to solvation and desolvation of the cation is observed in the latter case. The reduction of α-diketone (CF3)2CFC(O)C(O)CF3

  α-二酮 RC(O)C(O)CF3 (R=( )2CF, C6F5, ( )3C) 与金属 (Li, Na, K, Mg, Cd,研究了 THF 中的 Zn、Hg、In 和 TI)。对于 R=( )2CF 和 ，自由基阴离子形成为顺式异构体，而对于 R=( )3C，获得反式异构体。在后一种情况下观察到由于阳离子的溶剂化和去溶剂化导致的谱线变宽。α-二酮 ( )2CFC(O)C(O) 与 II 族金属（Mg、Cd、Zn）的还原导致自由基对的形成。
• Synthesis, properties mid stereochemistry of higher?,?-unsaturated perfluoroketones
  作者：V. F. Snegirev、L. L. Gervits、K. N. Makarov

  DOI：10.1007/bf00954479

  日期：1983.12
• Stable fluoroaliphatic radicals containing functional groups: Synthesis and reactivity
  作者：S.R. Sterlin、V.F. Cherstkov、B.L. Tumanskii、E.A. Avetisyan

  DOI：10.1016/s0022-1139(96)03491-4

  日期：1996.10

  beta-Fluorosulphatoperfluoroalkyl radicals (3, 7 and 8) are obtained by the reaction of fluoroolefins (HFP trimer and dimer, and perfluoro-4,4-dimethylpent-2-ene, respectively) with (FSO3)(2). The pure beta-fluorosulphatotetrafluoroethylperfluorodiisopropylmethyl radical (3) has been isolated and converted to the perfluoroacetyldiisopropylmethyl radical (4) under the action of CsF. The reaction of radicals 3, 7 and 8 with SbF5 leads to the replacement of the FSO3 group by a fluorine atom. The ability of the FSO3 group in beta-fluorosulphatoperfluoroalkyl radicals to play the role of a leaving group is explained by the stabilizing effect of the unshared electron on the adjacent carbocation centre.
• SNEGIREV, V. F.;GERVITS, L. L.;MAKAROV, K. N., IZV. AN CCCP. CEP. XIM., 1983, N 12, 2765-2775
  作者：SNEGIREV, V. F.、GERVITS, L. L.、MAKAROV, K. N.

  DOI：——

  日期：——
• Branched fluorinated allyl radicals
  作者：B. L. Tumanskii、L. L. Gervits、S. P. Solodovnikov、K. N. Makarov、L. T. Lantseva、N. N. Bubnov

  DOI：10.1007/bf00957171

  日期：1989.6