5,5,6,6,7,7,7-heptafluoro-4-hydroxy-hept-3-en-2-one | 308-65-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5,5,6,6,7,7,7-heptafluoro-4-hydroxy-hept-3-en-2-one
• 英文别名: 5,5,6,6,7,7,7-Heptafluor-4-hydroxy-hept-3-en-2-on；(Z)-5,5,6,6,7,7,7-heptafluoro-4-hydroxyhept-3-en-2-one
• CAS: 308-65-6
• 化学式: C₇H₅F₇O₂
• 分子量: 254.104
• InChiKey: DQBJUPDAKSMDSK-RQOWECAXSA-N

物化性质

• 沸点：
  175.7±40.0 °C(Predicted)
• 密度：
  1.491±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  5,5,6,6,7,7,7-heptafluoro-4-hydroxy-hept-3-en-2-one 在 水 作用下， 以 丙酮 为溶剂， 反应 24.0h， 以3.7%的产率得到5,5,6,6,7,7,7-Heptafluoro-4,4-dihydroxy-heptan-2-one
  参考文献：
  名称：

  Regioselectivity in the reaction of polyfluorinated ?-diketones with hydroxyl-containing nucleophiles

  摘要：

  DOI：

  10.1007/bf00955981

文献信息

• Interaction of fluoroalkyl-containing ?-diketones with amines
  作者：V. I. Filyakova、Y. G. Ratner、N. S. Karpenko、K. I. Pashkevich

  DOI：10.1007/bf01430731

  日期：1996.9

  The composition of products of the interaction of asymmetric fluoroalkyl-containing beta-diketones with amines was studied. Mixtures of regioisomeric beta-aminovinylketones and products of cleavage and secondary condensation are formed, depending on the temperature, the solvent, the nature of the fluorinated and nonfluorinated substituents in the beta-diketone, and the basicity of the amine. The major product is a beta-aminovinylketone in which the NH2 group is removed from the fluoroalkyl substituent. No beta-aminovinylimines, products of condensation involving two electrophilic centers, were observed.
• PASHKEVICH, K. I.;FOMIN, A. N.;SALOUTIN, V. I.;BAZHENOV, D. V.;GRISHIN, Y+, IZV. AN CCCP. CEP. XIM., 1982, N 6, 1359-1367
  作者：PASHKEVICH, K. I.、FOMIN, A. N.、SALOUTIN, V. I.、BAZHENOV, D. V.、GRISHIN, Y+

  DOI：——

  日期：——
• Regioselectivity in the reaction of polyfluorinated ?-diketones with hydroxyl-containing nucleophiles
  作者：K. I. Pashkevich、A. N. Fomin、V. I. Saloutin、D. V. Bazhenov、Yu. K. Grishin

  DOI：10.1007/bf00955981

  日期：1982.6