bis-pentafluoroethylhydrazide | 755-76-0

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 卤代烷
• 英文名称: bis-pentafluoroethylhydrazide
• 英文别名: N,N'-Bis--hydrazin；N,N'-Bis-(perfluor-propionyl)-hydrazin；2,2,3,3,3-Pentafluoro-N-(2,2,3,3,3-pentafluoro-1-hydroxypropylidene)propanehydrazonic acid；2,2,3,3,3-pentafluoro-N'-(2,2,3,3,3-pentafluoropropanoyl)propanehydrazide
• CAS: 755-76-0
• 化学式: C₆H₂F₁₀N₂O₂
• 分子量: 324.078
• InChiKey: AAYZOBLLMVJFNM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  20
• 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：
  58.2
• 氢给体数：
  2
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  bis-pentafluoroethylhydrazide 在 硫酸 作用下， 以78%的产率得到2,5-bis(perfluoroethyl)-1,3,4-oxadiazole
  参考文献：
  名称：

  Perfluoro-1,3,4-oxadiazoles

  摘要：

  Some new polyfluorinated 1,3,4-oxadiazoles have been obtained via a two-step method. The cycloadditions of the 1,3,4-oxadiazoles have been studied and an analysis of the energies of the frontier orbitals calculated by the MNDO method indicates a LUMO-dependent pathway for cycloaddition.

  DOI：

  10.1016/s0022-1139(00)80860-x
• 作为产物：
  描述：

  五氟丙酸酐 在 盐酸肼 作用下， 以99%的产率得到bis-pentafluoroethylhydrazide
  参考文献：
  名称：

  Perfluoro-1,3,4-oxadiazoles

  摘要：

  Some new polyfluorinated 1,3,4-oxadiazoles have been obtained via a two-step method. The cycloadditions of the 1,3,4-oxadiazoles have been studied and an analysis of the energies of the frontier orbitals calculated by the MNDO method indicates a LUMO-dependent pathway for cycloaddition.

  DOI：

  10.1016/s0022-1139(00)80860-x

文献信息

• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: F: PerFHalOrg.8, 3, page 55 - 151
  作者：

  DOI：——

  日期：——
• Synthesis of 2,5 Bis(perfluoroalkyl)-1,3,4-oxadiazoles
  作者：HENRY C. BROWN、MING T. CHENG、LLOYD J. PARCELL、DONALD PILIPOVICH

  DOI：10.1021/jo01069a054

  日期：1961.11
• Structure of 1,4-dichloro-1,4-bis(perfluoroalkyl)-1,3-diazatetra-1, 3-dienes from their13C,19F, and15N NMR spectra
  作者：V. V. Il'in、O. V. Slavinskaya、Yu. A. Strelenko、A. V. Ignatenko、V. A. Ponomarenko

  DOI：10.1007/bf00961032

  日期：1991.11

  Previously unknown 1,4-dichloro-1,4-bis(perfluoroalkyl)-1,3-diazatetra-1,3-dienes. have been prepared and shown to be mixtures of isomers of Z and E configurations. The structures have been identified and a quantitative estimate made of the ratio of Z and E isomers using C-13, F-19, and N-15 NMR spectroscopy.
• VORONKOV, M. G.;KALIKHMAN, I. D.;MEDVEDEVA, E. N.;YUSHMANOVA, T. I.;LOPYR+, J. FLUOR. CHEM., 1982, 21, N 1, 57
  作者：VORONKOV, M. G.、KALIKHMAN, I. D.、MEDVEDEVA, E. N.、YUSHMANOVA, T. I.、LOPYR+

  DOI：——

  日期：——
• Perfluoro-1,3,4-oxadiazoles
  作者：N.V. Vasiliev、Yu.E. Lyashenko、A.E. Patalakha、G.A. Sokolski

  DOI：10.1016/s0022-1139(00)80860-x

  日期：1993.12

  Some new polyfluorinated 1,3,4-oxadiazoles have been obtained via a two-step method. The cycloadditions of the 1,3,4-oxadiazoles have been studied and an analysis of the energies of the frontier orbitals calculated by the MNDO method indicates a LUMO-dependent pathway for cycloaddition.