| 1612775-51-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• CAS: 1612775-51-5
• 化学式: C₅₂H₃₃CuN₅O
• 分子量: 807.413
• InChiKey: QWVIQHLFKWLODV-UNEXDRKKSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  在 邻四氯苯醌 、 硫酸 作用下， 以 氯仿 、 溶剂黄146 、 甲苯 为溶剂， 反应 2.25h， 生成 2-(1-phenyl-3-(2-pyridyl)-1H-pirazol-5-yl)-5,10,15,20-tetraphenylporphyrin
  参考文献：
  名称：

  Synthesis, Spectroscopy Studies, and Theoretical Calculations of New Fluorescent Probes Based on Pyrazole Containing Porphyrins for Zn(II), Cd(II), and Hg(II) Optical Detection

  摘要：

  New pyrazole porphyrin conjugates were successfully prepared from a reaction of beta-porphyrin chalcone derivatives with phenylhydrazine in acetic acid followed by an oxidative step. This fast and efficient synthetic approach provided the expected compounds in yields up to 82%. The sensing ability of the new porphyrin-pyrazole derivatives to detect the metal ions Ag+, Na+, K+, Mg2+, Ca2+, Ni2+, Cu2+, Zn2+, Cd2+, Hg2+, Pb2+, and Cr3+ was studied by spectrophotometric and spectrofluorimetric titrations. In the presence of Zn2+, the conjugates exhibit changes in the emission spectra that are desired for a ratiometric-type fluoroionophoric detection probe. The studies were extended to gas phase, where the pyrazole porphyrin conjugates show ability to sense metal ions with high selectivity toward Cu2+ and Ag+, and in poly(methyl methacrylate) doped films with promising results for Zn2+ detection.

  DOI：

  10.1021/ic500634y
• 作为产物：
  描述：

  2-[3-oxo-3-(pyridin-2-yl)prop-1-en-1-yl]-5,10,15,20-tetraphenylporphyrin 、 copper(II) acetate monohydrate 以 甲醇 、 氯仿 为溶剂， 反应 0.5h， 生成
  参考文献：
  名称：

  Synthesis, Spectroscopy Studies, and Theoretical Calculations of New Fluorescent Probes Based on Pyrazole Containing Porphyrins for Zn(II), Cd(II), and Hg(II) Optical Detection

  摘要：

  New pyrazole porphyrin conjugates were successfully prepared from a reaction of beta-porphyrin chalcone derivatives with phenylhydrazine in acetic acid followed by an oxidative step. This fast and efficient synthetic approach provided the expected compounds in yields up to 82%. The sensing ability of the new porphyrin-pyrazole derivatives to detect the metal ions Ag+, Na+, K+, Mg2+, Ca2+, Ni2+, Cu2+, Zn2+, Cd2+, Hg2+, Pb2+, and Cr3+ was studied by spectrophotometric and spectrofluorimetric titrations. In the presence of Zn2+, the conjugates exhibit changes in the emission spectra that are desired for a ratiometric-type fluoroionophoric detection probe. The studies were extended to gas phase, where the pyrazole porphyrin conjugates show ability to sense metal ions with high selectivity toward Cu2+ and Ag+, and in poly(methyl methacrylate) doped films with promising results for Zn2+ detection.

  DOI：

  10.1021/ic500634y