diethyl (3,3,3-trifluoropropyl)phosphonate | 60575-66-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机膦酸及其衍生物
• 英文名称: diethyl (3,3,3-trifluoropropyl)phosphonate
• 英文别名: diethyl 3,3,3-trifluoropropyl-phosphonate；diethyl 3,3,3-trifluoropropylphosphonate；Diethyl-3,3,3-trifluorpropyl-1-phosphonat；3-Diethoxyphosphoryl-1,1,1-trifluoropropane
• CAS: 60575-66-8
• 化学式: C₇H₁₄F₃O₃P
• 分子量: 234.155
• InChiKey: AIBZMAQDTMDOHA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  14
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1,1,2,2-四氢全氟己基碘 、 亚磷酸三乙酯 反应 5.0h， 以57%的产率得到diethyl (3,3,3-trifluoropropyl)phosphonate
  参考文献：
  名称：

  Synthesis and coordination chemistry of fluorinated phosphonic acids

  摘要：

  Phosphonic acids [(HO)(2)P(O)C2H4CnF2n+1] (n = 4, 6) and [(HO)(2)P(O)C6H4-4-CnF2n+1] (n = 0, 1, 6) have been prepared in good yields. Deprotonation and reaction with cis-[PtCl2(PPh3)(2)] affords fluorinated platinum complexes which have been characterised by elemental analysis, mass spectrometry, IR and NMR spectroscopies. The structures of [Pt{O2P(O)C6H4-4-F}(PPh3)(2)], [Pt{O2P(O)C6H4-4-CF3}(PPh3)(2)] and [Pt{O2P(O)C2H4C6F13}(PPh3)(2)] have been determined by single crystal X-ray diffraction. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2009.04.008

文献信息

• Metal-free and light-promoted radical iodotrifluoromethylation of alkenes with Togni reagent as the source of CF₃ and iodine
  作者：Redouane Beniazza、Maxime Douarre、Dominique Lastécouères、Jean-Marc Vincent

  DOI：10.1039/c7cc00214a

  日期：——

  Iodotrifluoromethylation of alkenes is effectively conducted by combining benzophenone, “black light”, isopropanol and Togni reagent 1 as the source of both the CF₃ group and iodine atom.

  烯烃的碘三氟甲基化反应通过将苯甲酮、"黑光"、异丙醇和Togni试剂1结合使用，有效进行，Togni试剂1同时作为CF3基团和碘原子的来源。
• Radical telomerization of 3,3,3-trifluoropropene with diethyl hydrogen phosphonate: Characterization of the first telomeric adducts and assessment of the transfer constants
  作者：George Kostov、Bruno Ameduri、Stephan M. Brandstadter

  DOI：10.1016/j.jfluchem.2007.03.015

  日期：2007.8

  The radical telomerization of 3,3,3-trifluoropropene (TFP) with diethyl phosphate (or diethyl hydrogen phosphonate, DEHP) was investigated to synthesize fluorinated telomers bearing a phosphonate end-group, as H(TFP)nP(O)(OEt)2. Di-tert-butyl peroxide was the most efficient radical initiator. A careful structural study of typical TFP/DEHP telomers was performed by 1H, 19F, and 31P nuclear magnetic

  研究了3,3,3-三氟丙烯（TFP）与磷酸二乙酯（或膦酸二乙基氢酯，DEHP）的自由基端粒化反应，合成了带有膦酸酯端基的氟化端粒，为H（TFP）n P（O）（OEt） ）2。二-叔-丁基过氧化物是最有效的自由基引发剂。在1 H，19 F和31 H下对典型的TFP / DEHP端粒进行了仔细的结构研究P核磁共振波谱学。这些分析方法使我们能够证明将膦酰基基团选择性地添加到TFP的氢化侧上，而包含两个以上TFP单元的端粒则由包含正向和反向加合物的TFP异构体组成。端粒化反应的动力学导致对DEHP在140°C时无穷转移常数为0.75的前四阶转移常数的评估。
• Synthesis and coordination chemistry of fluorinated phosphonic acids
  作者：James A. Bennett、Eric G. Hope、Kuldip Singh、Alison M. Stuart

  DOI：10.1016/j.jfluchem.2009.04.008

  日期：2009.7

  Phosphonic acids [(HO)(2)P(O)C2H4CnF2n+1] (n = 4, 6) and [(HO)(2)P(O)C6H4-4-CnF2n+1] (n = 0, 1, 6) have been prepared in good yields. Deprotonation and reaction with cis-[PtCl2(PPh3)(2)] affords fluorinated platinum complexes which have been characterised by elemental analysis, mass spectrometry, IR and NMR spectroscopies. The structures of [PtO2P(O)C6H4-4-F}(PPh3)(2)], [PtO2P(O)C6H4-4-CF3}(PPh3)(2)] and [PtO2P(O)C2H4C6F13}(PPh3)(2)] have been determined by single crystal X-ray diffraction. (C) 2009 Elsevier B.V. All rights reserved.