4-tridecafluorohexylphenyl-phosphonic acid | 1210920-50-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-tridecafluorohexylphenyl-phosphonic acid
• CAS: 1210920-50-5
• 化学式: C₁₂H₆F₁₃O₃P
• 分子量: 476.131
• InChiKey: XHASFJMIOXJGOG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.68
• 重原子数：
  29.0
• 可旋转键数：
  6.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  57.53
• 氢给体数：
  2.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  diethyl 4-tridecafluorohexylphenyl-phosphonate 在 盐酸 、 水 作用下， 反应 48.0h， 以97%的产率得到4-tridecafluorohexylphenyl-phosphonic acid
  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