| 1393118-75-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1393118-75-6
• 化学式: C₈₄H₈₂N₁₀O₁₄
• 分子量: 1455.63
• InChiKey: OCEDXZMRASUJFV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.42
• 重原子数：
  108.0
• 可旋转键数：
  34.0
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  313.18
• 氢给体数：
  6.0
• 氢受体数：
  18.0

反应信息

• 作为反应物：
  描述：

  在 三氟化硼乙醚 作用下， 以 丙酮 为溶剂， 反应 2.0h， 生成
  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：

  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