1,6-Bis[2-[4-[[diethoxy(oxido)phosphaniumyl]methyl]phenyl]ethynyl]pyrene | 1027275-77-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 1,6-Bis[2-[4-[[diethoxy(oxido)phosphaniumyl]methyl]phenyl]ethynyl]pyrene
• 英文别名: 1,6-bis[2-[4-[[diethoxy(oxido)phosphaniumyl]methyl]phenyl]ethynyl]pyrene
• CAS: 1027275-77-9
• 化学式: C₄₂H₄₀O₆P₂
• 分子量: 702.724
• InChiKey: WUEDMFYGCMFXQJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.6
• 重原子数：
  50
• 可旋转键数：
  16
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  83
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1,6-Bis[2-[4-[[diethoxy(oxido)phosphaniumyl]methyl]phenyl]ethynyl]pyrene 、 三乙胺 在 三甲基溴硅烷 作用下， 以 氯仿 为溶剂， 以65%的产率得到triethylamine (((pyrene-1,6-diylbis(ethyne-2,1-diyl))bis(4,1-phenylene))bis(methylene))bis(phosphonate)
  参考文献：
  名称：

  Mg2+-mediated self-assembly of an amphiphilic pyrene derivative with single-stranded DNA

  摘要：

  An amphiphilic ethynyl-pyrene derivative modified with phosphonic acid groups (PyTOH) was synthesized and characterized. Single-stranded DNA (ssDNA), which carries negative charges, was found to induce the self-assembly of PyTOH through electrostatic interactions with Mg2+ as co-complexation ion in aqueous solution. UV-vis, fluorescence, and circular dichroism (CD) spectra revealed that left-handed helical architecture of PyTOH/Mg2+/DNA was formed. Scanning electron microscopy (SEM) and atomic force microscopy (AFM) showed that nanoscale structures could be fabricated by self-assembly. (C) 2008 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2008.02.024
• 作为产物：
  描述：

  1,6-diethynylpyrene 、 (4-碘苄基)膦酸二乙酯 在 bis-triphenylphosphine-palladium(II) chloride copper(l) iodide 、 三乙胺 、 三苯基膦 作用下， 反应 12.0h， 以47%的产率得到1,6-Bis[2-[4-[[diethoxy(oxido)phosphaniumyl]methyl]phenyl]ethynyl]pyrene
  参考文献：
  名称：

  Mg2+-mediated self-assembly of an amphiphilic pyrene derivative with single-stranded DNA

  摘要：

  An amphiphilic ethynyl-pyrene derivative modified with phosphonic acid groups (PyTOH) was synthesized and characterized. Single-stranded DNA (ssDNA), which carries negative charges, was found to induce the self-assembly of PyTOH through electrostatic interactions with Mg2+ as co-complexation ion in aqueous solution. UV-vis, fluorescence, and circular dichroism (CD) spectra revealed that left-handed helical architecture of PyTOH/Mg2+/DNA was formed. Scanning electron microscopy (SEM) and atomic force microscopy (AFM) showed that nanoscale structures could be fabricated by self-assembly. (C) 2008 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2008.02.024