5-[(E)-2-[4-[(E)-2-[3-carboxy-4-[2-[2-[2-carboxy-4-[(E)-2-[4-[(E)-2-(3-carboxy-4-hydroxyphenyl)ethenyl]-2-fluorophenyl]ethenyl]phenoxy]ethoxy]ethoxy]phenyl]ethenyl]-3-fluorophenyl]ethenyl]-2-hydroxybenzoic acid | 1116485-77-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 5-[(E)-2-[4-[(E)-2-[3-carboxy-4-[2-[2-[2-carboxy-4-[(E)-2-[4-[(E)-2-(3-carboxy-4-hydroxyphenyl)ethenyl]-2-fluorophenyl]ethenyl]phenoxy]ethoxy]ethoxy]phenyl]ethenyl]-3-fluorophenyl]ethenyl]-2-hydroxybenzoic acid
• CAS: 1116485-77-8
• 化学式: C₅₂H₄₀F₂O₁₃
• 分子量: 910.879
• InChiKey: PPFSNJWCTPPYJP-DESBBMBUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.2
• 重原子数：
  67
• 可旋转键数：
  20
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  217
• 氢给体数：
  6
• 氢受体数：
  15

反应信息

• 作为产物：
  描述：

  dimethyl 6,6'-((oxybis(ethane-2,1-diyl))bis(oxy))bis(3-((E)-4-((E)-2-(2,2-dimethyl-4-oxo-4H-benzo[d][1,3]dioxin-6-yl)vinyl)-2-fluorostyryl)benzoate) 在 氢氧化钾 、 水 、 盐酸 作用下， 以 四氢呋喃 、 水 为溶剂， 以100%的产率得到5-[(E)-2-[4-[(E)-2-[3-carboxy-4-[2-[2-[2-carboxy-4-[(E)-2-[4-[(E)-2-(3-carboxy-4-hydroxyphenyl)ethenyl]-2-fluorophenyl]ethenyl]phenoxy]ethoxy]ethoxy]phenyl]ethenyl]-3-fluorophenyl]ethenyl]-2-hydroxybenzoic acid
  参考文献：
  名称：

  A Versatile Approach to β-Amyloid Fibril-Binding Compounds Exploiting the Shirakawa/Hayashi Protocol for trans-Alkene Synthesis

  摘要：

  Application of the Sonogashira coupling reaction followed by a trans-selective alkyne reduction proved highly adaptable for the efficient synthesis of a class of beta-amyloid fibril binding compounds possessing a styrylbenzene motif such as FSB, an FSB dimer, and F-19-BAY94-9172.

  DOI：

  10.1021/ol8029593

文献信息

• A Versatile Approach to β-Amyloid Fibril-Binding Compounds Exploiting the Shirakawa/Hayashi Protocol for <i>trans</i>-Alkene Synthesis
  作者：Tri H. V. Huynh、Mette Louise H. Mantel、Katrine Mikkelsen、Anders T. Lindhardt、Niels Chr. Nielsen、Daniel Otzen、Troels Skrydstrup

  DOI：10.1021/ol8029593

  日期：2009.2.19

  Application of the Sonogashira coupling reaction followed by a trans-selective alkyne reduction proved highly adaptable for the efficient synthesis of a class of beta-amyloid fibril binding compounds possessing a styrylbenzene motif such as FSB, an FSB dimer, and F-19-BAY94-9172.