2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-[[7-(3-hydroxy-3-methylbut-1-ynyl)-2-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-[[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]diazenyl]-1H-indol-2-yl]-1H-indol-5-yl]diazenyl]benzoate | 1228171-05-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-[[7-(3-hydroxy-3-methylbut-1-ynyl)-2-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-[[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]diazenyl]-1H-indol-2-yl]-1H-indol-5-yl]diazenyl]benzoate
• CAS: 1228171-05-8
• 化学式: C₅₄H₆₀N₆O₁₂
• 分子量: 985.103
• InChiKey: BWLJFWWDVCURRB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  72
• 可旋转键数：
  31
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  230
• 氢给体数：
  4
• 氢受体数：
  16

反应信息

• 作为产物：
  描述：

  2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-[[7-iodo-2-[7-iodo-5-[[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]diazenyl]-1H-indol-2-yl]-1H-indol-5-yl]diazenyl]benzoate 、 2-甲基-3-丁炔-2-醇 在 copper(l) iodide 、 trans-bis(triphenylphosphine)palladium dichloride 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 以76%的产率得到2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-[[7-(3-hydroxy-3-methylbut-1-ynyl)-2-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-[[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]phenyl]diazenyl]-1H-indol-2-yl]-1H-indol-5-yl]diazenyl]benzoate
  参考文献：
  名称：

  Synthesis of Biindole−Diazo Conjugates as a Colorimetric Anion Receptor

  摘要：

  A colorimetric anion receptor based on an indole scaffold has been synthesized by incorporating an azobenzene chromophore to the 5-position of indole. The receptor binds anions by hydrogen bonds which are effectively transmitted through resonance to the chromophore to give rise to color changes. The cyanide ion induced a pronounced color change from light yellow to reddish orange, but less intense or negligible changes were observed with the other anions examined here.

  DOI：

  10.1021/ol100830b