1-dodeca-1,11-diynylpyrene | 188584-19-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 1-dodeca-1,11-diynylpyrene
• CAS: 188584-19-2
• 化学式: C₂₈H₂₆
• 分子量: 362.514
• InChiKey: XTSDEPGFXIHNRR-UHFFFAOYSA-N

物化性质

• 沸点：
  543.6±33.0 °C(Predicted)
• 密度：
  1.10±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.69
• 重原子数：
  28.0
• 可旋转键数：
  7.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  (8R,9S,13S,14S)-3-methoxy-13-methyl-7,8,9,11,12,13,14,15-octahydro-6H-cyclopenta[a]phenanthren-17-yl trifluoromethanesulfonate 、 1-dodeca-1,11-diynylpyrene 在 copper(l) iodide 、 四(三苯基膦)钯 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 以92%的产率得到1-[12-((8R,9S,13S,14S)-3-Methoxy-13-methyl-7,8,9,11,12,13,14,15-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-dodeca-1,11-diynyl]-pyrene
  参考文献：
  名称：

  Palladium-catalysed attachment of labels with acetylenic linker arms to biological molecules

  摘要：

  Palladium-catalysed coupling has been used to attach a series of fluorescent (acridonyl, pyrenyl, fluoresceinyl, dansyl and ruthenium phenanthrolinyl) and enzymic (biotinyl) labels containing a terminal alkyne to electophilic biological molecules based on amino acids, nucleosides and steroids. (C) 1997, Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(96)01085-x
• 作为产物：
  描述：

  1-溴芘 在 四(三苯基膦)钯 正丁基锂 、 sodium acetate 、 三苯基膦 、 pyridinium chlorochromate 作用下， 以 二氯甲烷 为溶剂， 反应 10.0h， 生成 1-dodeca-1,11-diynylpyrene
  参考文献：
  名称：

  Preparation of biological labels with acetylenic linker arms

  摘要：

  The preparation of a series of fluorescent labels based on acridone, pyrene, fluorescein, dimedlylaminonaphthalenesulphonamide and tris-l,10-phenanthroline ruthenium and an enzymic label based on biotin with spacers containing a terminal acetylene is described. (C) 1997, Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(96)01084-8

文献信息

• Preparation of biological labels with acetylenic linker arms
  作者：Geoffrey T. Crisp、Jeffrey Gore

  DOI：10.1016/s0040-4020(96)01084-8

  日期：1997.1

  The preparation of a series of fluorescent labels based on acridone, pyrene, fluorescein, dimedlylaminonaphthalenesulphonamide and tris-l,10-phenanthroline ruthenium and an enzymic label based on biotin with spacers containing a terminal acetylene is described. (C) 1997, Elsevier Science Ltd.
• Palladium-catalysed attachment of labels with acetylenic linker arms to biological molecules
  作者：Geoffrey T. Crisp、Jeffrey Gore

  DOI：10.1016/s0040-4020(96)01085-x

  日期：1997.1

  Palladium-catalysed coupling has been used to attach a series of fluorescent (acridonyl, pyrenyl, fluoresceinyl, dansyl and ruthenium phenanthrolinyl) and enzymic (biotinyl) labels containing a terminal alkyne to electophilic biological molecules based on amino acids, nucleosides and steroids. (C) 1997, Elsevier Science Ltd.