1-bromo-6-(3,4-didodecyloxybutyl)pyrene | 1190620-15-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 1-bromo-6-(3,4-didodecyloxybutyl)pyrene
• 英文别名: 1-Bromo-6-(3,4-didodecoxybutyl)pyrene
• CAS: 1190620-15-5
• 化学式: C₄₄H₆₅BrO₂
• 分子量: 705.903
• InChiKey: FASSBMQAGIEHSI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.3
• 重原子数：
  47
• 可旋转键数：
  28
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  二氧化碳 、 1-bromo-6-(3,4-didodecyloxybutyl)pyrene 在 正丁基锂 、 盐酸 作用下， 以 四氢呋喃 、 正己烷 、 水 为溶剂， 反应 0.17h， 以54%的产率得到6-(3,4-didodecyloxybutyl)-1-pyrenecarboxylic acid
  参考文献：
  名称：

  Amphiphilic pyrenecarboxylic acids: incorporation into vesicle membrane and ability as sensitizer for electron transport reactions

  摘要：

  The novel pyrenecarboxylic acids 1-3 having a single or double hydrophobic alkyl chain were synthesized, and their photophysical properties were investigated in solutions and vesicle membranes. In analogy with parent 1-pyrenecarboxylic acid, the absorption and fluorescence spectra of 1-3 were changed with the H+ concentration. The amphiphilic pyrenecarboxylic acids 1-3 had good solubility in the vesicle membranes, and acted as an excellent sensitizer for the electron transport from an electron donor in the inner waterpool of the vesicle to an electron acceptor in the outer aqueous phase across vesicle membranes. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.07.033
• 作为产物：
  描述：

  1-bromo-6-(3,4-didodecyloxy-1-butyn-1-yl)pyrene 在 platinum(IV) oxide 、 氢气 作用下， 反应 1.33h， 以100%的产率得到1-bromo-6-(3,4-didodecyloxybutyl)pyrene
  参考文献：
  名称：

  Amphiphilic pyrenecarboxylic acids: incorporation into vesicle membrane and ability as sensitizer for electron transport reactions

  摘要：

  The novel pyrenecarboxylic acids 1-3 having a single or double hydrophobic alkyl chain were synthesized, and their photophysical properties were investigated in solutions and vesicle membranes. In analogy with parent 1-pyrenecarboxylic acid, the absorption and fluorescence spectra of 1-3 were changed with the H+ concentration. The amphiphilic pyrenecarboxylic acids 1-3 had good solubility in the vesicle membranes, and acted as an excellent sensitizer for the electron transport from an electron donor in the inner waterpool of the vesicle to an electron acceptor in the outer aqueous phase across vesicle membranes. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.07.033