1-[1,1,2,2,3,3-Hexafluoro-3-(1-pyrenyl)propyl]pyrene

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 1-[1,1,2,2,3,3-Hexafluoro-3-(1-pyrenyl)propyl]pyrene
• 英文别名: 1-(1,1,2,2,3,3-Hexafluoro-3-pyren-1-ylpropyl)pyrene
• 化学式: C₃₅H₁₈F₆
• 分子量: 552.518
• InChiKey: UOXDNCASHWYZBK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.4
• 重原子数：
  41
• 可旋转键数：
  4
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  芘 、 六氟戊二酸 在 二氟代氙 作用下， 以 二氯甲烷 为溶剂， 反应 3.5h， 以65%的产率得到1-[1,1,2,2,3,3-Hexafluoro-3-(1-pyrenyl)propyl]pyrene
  参考文献：
  名称：

  Syntheses of mono- and di-pyrenyl perfluoroalkanes

  摘要：

  The syntheses of a series of fluorophores of the general formula: pyrene-(CF2)(n)-pyrene (n=3, 4 and 6) and pyrene-(CF2)(n)-F (n=4 and 6) are reported using two different methodologies. Copper catalyzed coupling of 1-bromopyrene and the corresponding mono- and di-iodoperfluoroalkanes are used in most cases. All the compounds have been characterized by H-1, C-13, F-19 NMR and mass spectroscopies. (C) 2000 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-1139(00)00262-1

文献信息

• Syntheses of mono- and di-pyrenyl perfluoroalkanes
  作者：David Wiedenfeld、Sandip Niyogi、Debasis Chakrabarti

  DOI：10.1016/s0022-1139(00)00262-1

  日期：2000.7

  The syntheses of a series of fluorophores of the general formula: pyrene-(CF2)(n)-pyrene (n=3, 4 and 6) and pyrene-(CF2)(n)-F (n=4 and 6) are reported using two different methodologies. Copper catalyzed coupling of 1-bromopyrene and the corresponding mono- and di-iodoperfluoroalkanes are used in most cases. All the compounds have been characterized by H-1, C-13, F-19 NMR and mass spectroscopies. (C) 2000 Elsevier Science S.A. All rights reserved.