1,1,1,3,3,3-hexafluoropropan-2-yl n-octyl ether | 1311320-60-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,1,1,3,3,3-hexafluoropropan-2-yl n-octyl ether
• CAS: 1311320-60-1
• 化学式: C₁₁H₁₈F₆O
• 分子量: 280.254
• InChiKey: CFNWFSHYWYEUEA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.86
• 重原子数：
  18.0
• 可旋转键数：
  8.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  9.23
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  辛醇 、 六氟异丙醇 在 三丁基膦 、 1,1'-azodicarbonyl-dipiperidine 作用下， 以 甲苯 为溶剂， 反应 0.18h， 以28%的产率得到1,1,1,3,3,3-hexafluoropropan-2-yl n-octyl ether
  参考文献：
  名称：

  Polyfluoroalkylated tripyrazolylmethane ligands: Synthesis and complexes

  摘要：

  Tripyrazolylmethanes represent a novel class of uncharged ligands analogous to charged tripyrazolylborates (scorpionates), which are isoelectronic and isolobal with cyclopentadienides. We report here a straightforward synthesis of the first polyfluoroalkylated tripyrazolylmethane ligands bearing C4F9-C12F25 ponytails, based on allylation/perfluoroalkylation/reduction sequence of transformations of 2,2,2-tripyrazol-1-ylethanol. Model complexation reactions of these ligands gave sandwich complexes of copper(II), nickel(II), cobalt(II) and iron(II), the structure of which was confirmed by detailed MS analysis, as well as by NMR spectroscopy for the fourth diamagnetic complex. Fluorophilicity of the ligands and their complexes peaks for C10F21 ponytail but lies below zero. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2011.04.010