1-[2-[2-[2-[2-[[27-[2-[2-[2-(2-Acetylphenoxy)ethoxy]ethoxy]ethoxy]-26,28-dihydroxy-5,17-bis[(4-nitrophenyl)diazenyl]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]oxy]ethoxy]ethoxy]ethoxy]phenyl]ethanone | 1393118-74-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-[2-[2-[2-[2-[[27-[2-[2-[2-(2-Acetylphenoxy)ethoxy]ethoxy]ethoxy]-26,28-dihydroxy-5,17-bis[(4-nitrophenyl)diazenyl]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]oxy]ethoxy]ethoxy]ethoxy]phenyl]ethanone
• CAS: 1393118-74-5
• 化学式: C₆₈H₆₆N₆O₁₆
• 分子量: 1223.3
• InChiKey: XHHZBONIGODZOP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.2
• 重原子数：
  90
• 可旋转键数：
  28
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  290
• 氢给体数：
  2
• 氢受体数：
  20

反应信息

• 作为反应物：
  描述：

  吡咯 、 1-[2-[2-[2-[2-[[27-[2-[2-[2-(2-Acetylphenoxy)ethoxy]ethoxy]ethoxy]-26,28-dihydroxy-5,17-bis[(4-nitrophenyl)diazenyl]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]oxy]ethoxy]ethoxy]ethoxy]phenyl]ethanone 在 三氟乙酸 作用下， 以39%的产率得到
  参考文献：
  名称：

  Azocalix[4]arene Strapped Calix[4]pyrrole: A Confirmable Fluoride Sensor

  摘要：

  A new chromogenic fluoride sensor based on 1,3-di-p-nitrophenylazocalix[4]arene-calix[4]pyrrole (1) was designed and synthesized. The color of the solution of probe 1 changed upon the addition of any F-, CH3CO2-, PhCO2-, and H2PO4- ions. However, from these ions the highly specific sensing of F- is achieved by the addition of Ca2+ which leads to a color change from light sky blue (of 1.F-) back to the original light orange color of 1.

  DOI：

  10.1021/ol301684r
• 作为产物：
  描述：

  2'-羟基苯乙酮 在 吡啶 、 sodium carbonate 、 potassium carbonate 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 202.5h， 生成 1-[2-[2-[2-[2-[[27-[2-[2-[2-(2-Acetylphenoxy)ethoxy]ethoxy]ethoxy]-26,28-dihydroxy-5,17-bis[(4-nitrophenyl)diazenyl]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]oxy]ethoxy]ethoxy]ethoxy]phenyl]ethanone
  参考文献：
  名称：

  Azocalix[4]arene Strapped Calix[4]pyrrole: A Confirmable Fluoride Sensor

  摘要：

  A new chromogenic fluoride sensor based on 1,3-di-p-nitrophenylazocalix[4]arene-calix[4]pyrrole (1) was designed and synthesized. The color of the solution of probe 1 changed upon the addition of any F-, CH3CO2-, PhCO2-, and H2PO4- ions. However, from these ions the highly specific sensing of F- is achieved by the addition of Ca2+ which leads to a color change from light sky blue (of 1.F-) back to the original light orange color of 1.

  DOI：

  10.1021/ol301684r