1,1,2,4,5,6,7-heptafluoroindene | 38470-61-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚和异茚
• 英文名称: 1,1,2,4,5,6,7-heptafluoroindene
• 英文别名: 3-H-Heptafluorinden；1,1,2,4,5,6,7-Heptafluor-inden
• CAS: 38470-61-0
• 化学式: C₉HF₇
• 分子量: 242.096
• InChiKey: PSARHBCDFOQZAF-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

• 作为反应物：
  描述：

  1,1,2,4,5,6,7-heptafluoroindene 生成 1,2,3,4,5,6,7,8,9,9,9a,9b,10,10-Tetradecafluoro-4b,4c,9,9a,9b,10-hexahydro-cyclobuta[1,2-a;4,3-a']diindene
  参考文献：
  名称：

  Fluoroindenes

  摘要：

  DOI：

  10.1007/bf00922474
• 作为产物：
  描述：

  1,2,2,4,5,6,7,8,8,9,9-Undecafluoro-4,7-dihydro-2H-4,7-ethano-indene 生成 1,1,2,4,5,6,7-heptafluoroindene
  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

• Reduction of Perfluorinated Benzocycloalkenones and Other Polyfluoroaryl Ketones to Alcohols with LiBH4
  作者：S. Wang、D. S. Golokhvastova、Ya. V. Zonov、V. M. Karpov、T. V. Mezhenkova、Yu. V. Gatilov

  DOI：10.1134/s1070428022060045

  日期：2022.6

  The reduction of polyfluorinated benzocycloalken-1-ones, perfluoro-2,3-dihydrobenzofuran-3-one, and perfluorinated diaryl and alkyl aryl ketones with lithium tetrahydridoborate in diethyl ether gave the corre­sponding alcohols. The reduction of perfluorinated 2-methyl- and 2-hydroxy-2-phenylbenzocyclobutenones was accompanied by opening of the four-membered ring with the formation of (perfluoro-2-vinylphenyl)­methanol

  摘要 在乙醚中用四氢硼酸锂还原多氟苯并环烯-1-酮、全氟-2,3-二氢苯并呋喃-3-酮和全氟二芳基和烷基芳基酮得到相应的醇。全氟 2-甲基-和 2-羟基-2-苯基苯并环丁烯酮的还原伴随着四元环的开环，形成 (全氟-2-乙烯基苯基)甲醇和 [2-(羟甲基)四氟苯基](五氟苯基)甲醇，分别。在全氟苯并环丁烯、茚满和四氢化萘的二羰基衍生物的还原反应中获得了多氟苯并环烯二醇。
• 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.
• Fluoroindenes
  作者：V. M. Karpov、V. E. Platonov、G. G. Yakobson

  DOI：10.1007/bf00922474

  日期：1976.2