perfluoro-3,4-dihydroisocoumarin | 146366-32-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: perfluoro-3,4-dihydroisocoumarin
• 英文别名: Perfluoroisochroman-1-one；3,3,4,4,5,6,7,8-octafluoroisochromen-1-one
• CAS: 146366-32-7
• 化学式: C₉F₈O₂
• 分子量: 292.085
• InChiKey: CESWGVGNRKKSQG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  19
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  octafluoroindene 在 氢氟酸 、 双氧水 、 五氟化锑 作用下， 生成 perfluoro-3,4-dihydroisocoumarin
  参考文献：
  名称：

  Skeletal transformations of perfluoroisopropyl-benzocycloalkenes under the action of SbF5

  摘要：

  DOI：

  10.1016/s0022-1139(00)83819-1

文献信息

• Fluoroindenes. 13. Transformations of polyfluorinated indenes and 1-alkylideneindans in the H2O2-HF-SbF5 system
  作者：I. P. Chuikov、V. M. Karpov、V. E. Platonov

  DOI：10.1007/bf00866597

  日期：1992.6

  The reaction of perfluorinated indene, 3-methylindene, and 1-methylene- and 1-ethylideneindans with hydrogen peroxide in the hydrogen fluoride-antimony pentafluoride medium takes place at the multiple bond of the substrate and leads to the oxo derivatives of indan. The process probably takes place through the electrophilic addition of HO+. The C=C bond in perfluoro-3-methylindenone is not affected. In this compound and also in perfluoro-2-indanone and perfluoro-1-methyl-2-indanone the carbonyl group is involved in reaction with hydrogen peroxide in the HF-SbF5 system, and six-membered oxygen-containing heterocyclic compounds are formed.