1,1,3,4,5,6,7-Heptafluoro-1H-indene | 38470-60-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚和异茚
• 英文名称: 1,1,3,4,5,6,7-Heptafluoro-1H-indene
• 英文别名: 1,1,3,4,5,6,7-Heptafluoroindene
• CAS: 38470-60-9
• 化学式: C₉HF₇
• 分子量: 242.096
• InChiKey: PCSSFZQIMAMPAG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  octafluoroindene 在 sodium tetrahydroborate 作用下， 生成 1,1,3,4,5,6,7-Heptafluoro-1H-indene 、 1,1,2,4,5,6,7-heptafluoroindene 、 1,1,4,5,6,7-hexafluoroindene
  参考文献：
  名称：

  Analysis of the19F and1H NMR spectra of a number of polyfluoroindenes

  摘要：

  Abstract19F and 1H NMR spectra of the products of nucleophilic attack on octafluoroindene are analysed and structures assigned. The major product in the reaction of butyllithium with octafluoroindene is 3‐methylheptafluoroindene, with sodium borohydride it is 2‐hydroheptafluoroindene and with sodium methoxide it is 3‐methoxyheptafluoroindene. Vacuum pyrolysis of undecafluorotricyclo[5.2.2.02,6]undeca‐ 2,5,8‐triene, with elimination of C2F4, gives 6‐hydroheptafluoroindene as the major product. The NMR assignments are based on the unambiguous synthesis via vacuum pyrolysis of 5,6‐dihydrohexafluoroindene, 3‐hydro‐ and 3‐methyl‐heptafluoroindene and the large long‐range coupling of 15 Hz assigned to the F‐2, F‐6 interaction.

  DOI：

  10.1002/mrc.1270140408

文献信息

• Analysis of the19F and1H NMR spectra of a number of polyfluoroindenes
  作者：R. S. Matthews、W. E. Preston

  DOI：10.1002/mrc.1270140408

  日期：1980.10

  Abstract19F and 1H NMR spectra of the products of nucleophilic attack on octafluoroindene are analysed and structures assigned. The major product in the reaction of butyllithium with octafluoroindene is 3‐methylheptafluoroindene, with sodium borohydride it is 2‐hydroheptafluoroindene and with sodium methoxide it is 3‐methoxyheptafluoroindene. Vacuum pyrolysis of undecafluorotricyclo[5.2.2.02,6]undeca‐ 2,5,8‐triene, with elimination of C2F4, gives 6‐hydroheptafluoroindene as the major product. The NMR assignments are based on the unambiguous synthesis via vacuum pyrolysis of 5,6‐dihydrohexafluoroindene, 3‐hydro‐ and 3‐methyl‐heptafluoroindene and the large long‐range coupling of 15 Hz assigned to the F‐2, F‐6 interaction.