1-(4',5'-dimethyl-2'-pentafluoroethyl)phenyl-nonan-1-one

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(4',5'-dimethyl-2'-pentafluoroethyl)phenyl-nonan-1-one
• 英文别名: 1-[4,5-Dimethyl-2-(1,1,2,2,2-pentafluoroethyl)phenyl]nonan-1-one；1-[4,5-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)phenyl]nonan-1-one
• 化学式: C₁₉H₂₅F₅O
• 分子量: 364.399
• InChiKey: AVCPHINJUQBDFO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  25
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  (E)-1,1,1,2,2,3,4-heptafluorotridec-3-en-5-one 在 氢氧化钾 作用下， 以 甲醇 、 甲苯 为溶剂， 反应 120.0h， 生成 1-(4',5'-dimethyl-2'-pentafluoroethyl)phenyl-nonan-1-one
  参考文献：
  名称：

  Synthesis of ortho-perfluoroalkyl phenones from hemifluorinated enones as key building blocks

  摘要：

  The title compounds are prepared by cycloaddition of perfluoroalkenyl ketones and 1,3-dienes, with a subsequent aromatization by basic dehydrofluorination. The perfluoroalkenyl ketones were prepared by the reaction of perfluoroorganometallic reagents with acylsilanes. The transformation may be performed more efficiently in a simplified process without purification of the intermediate cycloadducts. The overall methodology is an interesting entry to ortho-perfluoroalkyl phenones with the possibility to vary the substitution at the acyl and on the ring moiety. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2006.07.004