22,23-di(2-hydroxyethylthio)-μ-27H,29H-tribenzo[b,g,l]porphyrazine | 675832-95-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 22,23-di(2-hydroxyethylthio)-μ-27H,29H-tribenzo[b,g,l]porphyrazine
• 英文别名: 2-[[23-(2-Hydroxyethylsulfanyl)-2,11,20,25,33,34,35,36-octazaoctacyclo[24.6.1.13,10.112,19.121,24.04,9.013,18.027,32]hexatriaconta-1(33),2,4,6,8,10,12(35),13,15,17,19,21,23,25,27,29,31-heptadecaen-22-yl]sulfanyl]ethanol；2-[[23-(2-hydroxyethylsulfanyl)-2,11,20,25,33,34,35,36-octazaoctacyclo[24.6.1.13,10.112,19.121,24.04,9.013,18.027,32]hexatriaconta-1(33),2,4,6,8,10,12(35),13,15,17,19,21,23,25,27,29,31-heptadecaen-22-yl]sulfanyl]ethanol
• CAS: 675832-95-8
• 化学式: C₃₂H₂₄N₈O₂S₂
• 分子量: 616.727
• InChiKey: ADUSDZWECAAJFF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  44
• 可旋转键数：
  6
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  200
• 氢给体数：
  4
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  22,23-di(2-hydroxyethylthio)-μ-27H,29H-tribenzo[b,g,l]porphyrazine 在 zinc diacetate 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 18.0h， 以88%的产率得到22,23-di(2-hydroxyethylthio)tribenzo[b,g,l]porphyrazinatozinc(II)
  参考文献：
  名称：

  Synthesis and Characterisation of Unsymmetrical Porphyrazines Containing Bis(hydroxyethylthio) Substituents

  摘要：

  Unsymmetrical porphyrazines bearing a single peripheral bis(hydroxyethylthio) moiety were synthesised by mixed condensation of bis(2-hydroxyethylthio)maleonitrile and phthalonitrile. Complexation of the thioether groups of metal-free porphyrazine with PdCl2 further lowered the intensity of the Q-band absorption of the porphyrazine core. The new compounds were characterised by elemental analyses, IR, H-1 NMR, UV-Vis, and mass spectra.

  DOI：

  10.1007/s00706-003-0074-5
• 作为产物：
  描述：

  1,2-二氰基苯 、 bis(2-hydroxyethylthio)maleonitrile 在 碘 、 magnesium 、 三氟乙酸 作用下， 以 正丁醇 为溶剂， 反应 15.0h， 以12%的产率得到22,23-di(2-hydroxyethylthio)-μ-27H,29H-tribenzo[b,g,l]porphyrazine
  参考文献：
  名称：

  Synthesis and Characterisation of Unsymmetrical Porphyrazines Containing Bis(hydroxyethylthio) Substituents

  摘要：

  Unsymmetrical porphyrazines bearing a single peripheral bis(hydroxyethylthio) moiety were synthesised by mixed condensation of bis(2-hydroxyethylthio)maleonitrile and phthalonitrile. Complexation of the thioether groups of metal-free porphyrazine with PdCl2 further lowered the intensity of the Q-band absorption of the porphyrazine core. The new compounds were characterised by elemental analyses, IR, H-1 NMR, UV-Vis, and mass spectra.

  DOI：

  10.1007/s00706-003-0074-5

文献信息

• Synthesis and Characterisation of Unsymmetrical Porphyrazines Containing Bis(hydroxyethylthio) Substituents
  作者：Ayfer Kalkan、Zehra A. Bayir

  DOI：10.1007/s00706-003-0074-5

  日期：2003.12.1

  Unsymmetrical porphyrazines bearing a single peripheral bis(hydroxyethylthio) moiety were synthesised by mixed condensation of bis(2-hydroxyethylthio)maleonitrile and phthalonitrile. Complexation of the thioether groups of metal-free porphyrazine with PdCl2 further lowered the intensity of the Q-band absorption of the porphyrazine core. The new compounds were characterised by elemental analyses, IR, H-1 NMR, UV-Vis, and mass spectra.