{2,3,7,8,12,13,17,18-octakis[2′-(3-quinolinecarboxy)-ethylthio]21H23H}N21N22N23N24 porphyrazine | 1535222-74-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: {2,3,7,8,12,13,17,18-octakis[2′-(3-quinolinecarboxy)-ethylthio]21H23H}N21N22N23N24 porphyrazine
• 英文别名: {2,3,7,8,12,13,17,18-octakis[2′-(3-quinolinecarboxy)-ethylthio]21H23H}N²¹N²²N²³N²⁴ porphyrazine
• CAS: 1535222-74-2
• 化学式: C₁₁₂H₈₂N₁₆O₁₆S₈
• 分子量: 2164.51
• InChiKey: YIPXSXIFFSSCRJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  22.09
• 重原子数：
  152.0
• 可旋转键数：
  40.0
• 环数：
  21.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  422.44
• 氢给体数：
  2.0
• 氢受体数：
  38.0

反应信息

• 作为反应物：
  描述：

  {2,3,7,8,12,13,17,18-octakis[2′-(3-quinolinecarboxy)-ethylthio]21H23H}N21N22N23N24 porphyrazine 、 zinc diacetate 以 乙醇 、 氯仿 为溶剂， 反应 48.0h， 以87%的产率得到{2,3,7,8,12,13,17,18-octakis[2′-(3-quinolinecarboxy)-ethylthio]porphyrazinato N²¹N²²N²³N²⁴} zinc
  参考文献：
  名称：

  Synthesis, spectral and photophysical investigation of porphyrazines with eight 3-quinolinecarboxy esters

  摘要：

  In this study, the syntheses and characterization of [2,3,7,8,12,13,17,18-octakis [2-(3-quinolincarboxy)ethylhio] porphyrazinato (NNNN24)-N-21-N-22-N-23] magnesium(II), quaternized [2,3,7,8,12,13,17,18-octakis [2-(3-quinolincarboxy)ethylhio] porpyrazinato (NNNN24)-N-21-N-22-N-23] magnesium(II), [2,3,7,8,12,13,17,18-octakis[2-(3-quinolinecarboxy)-ethylthio]21H23H (NNNN24)-N-21-N-22-N-23 porphyrazine and [2,3,7,8,12,13,17,18-octakis[2-(3-quinolinecarboxy)-ethylthio]porphyrazinato (NNNN24)-N-21-N-22-N-23} zinc are described. The new compounds have been characterized by elemental analysis, FT-IR, H-1-NMR, and mass spectra. General trends are described for fluorescence quantum yields of these compounds in dimethylsulfoxide (DMSO). In this study, the effects quaternization of the substituents on the photophysical and spectroscopic properties are also reported.

  DOI：

  10.1080/00958972.2013.867035
• 作为产物：
  描述：

  {2,3,7,8,12,13,17,18-octakis[2′-(3-quinolinecarboxy)-ethylthio]porphyrazinato N²¹N²²N²³N²⁴}magnesium 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以60.9%的产率得到{2,3,7,8,12,13,17,18-octakis[2′-(3-quinolinecarboxy)-ethylthio]21H23H}N21N22N23N24 porphyrazine
  参考文献：
  名称：

  Synthesis, spectral and photophysical investigation of porphyrazines with eight 3-quinolinecarboxy esters

  摘要：

  In this study, the syntheses and characterization of [2,3,7,8,12,13,17,18-octakis [2-(3-quinolincarboxy)ethylhio] porphyrazinato (NNNN24)-N-21-N-22-N-23] magnesium(II), quaternized [2,3,7,8,12,13,17,18-octakis [2-(3-quinolincarboxy)ethylhio] porpyrazinato (NNNN24)-N-21-N-22-N-23] magnesium(II), [2,3,7,8,12,13,17,18-octakis[2-(3-quinolinecarboxy)-ethylthio]21H23H (NNNN24)-N-21-N-22-N-23 porphyrazine and [2,3,7,8,12,13,17,18-octakis[2-(3-quinolinecarboxy)-ethylthio]porphyrazinato (NNNN24)-N-21-N-22-N-23} zinc are described. The new compounds have been characterized by elemental analysis, FT-IR, H-1-NMR, and mass spectra. General trends are described for fluorescence quantum yields of these compounds in dimethylsulfoxide (DMSO). In this study, the effects quaternization of the substituents on the photophysical and spectroscopic properties are also reported.

  DOI：

  10.1080/00958972.2013.867035