2,3,9,10,16,17,23,24-octakis(phenoxy)phthalocyanine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四吡咯及其衍生物
• 英文名称: 2,3,9,10,16,17,23,24-octakis(phenoxy)phthalocyanine
• 英文别名: 2,3,9,10,16,17,23,24-octaphenoxyphthalocyanine；6,7,15,16,24,25,33,34-Octaphenoxy-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28(38),30(37),31,33,35-nonadecaene；6,7,15,16,24,25,33,34-octaphenoxy-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28(38),30(37),31,33,35-nonadecaene
• 化学式: C₈₀H₅₀N₈O₈
• 分子量: 1251.33
• InChiKey: BAWDRWDDXRBPPK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  18.6
• 重原子数：
  96
• 可旋转键数：
  16
• 环数：
  17.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  183
• 氢给体数：
  2
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  2,3,9,10,16,17,23,24-octakis(phenoxy)phthalocyanine 在 吡啶 、 三溴化磷 、 水 作用下， 反应 2.0h， 以74%的产率得到
  参考文献：
  名称：

  Synthesis of a tetrabenzotriazacorrole μ-oxo dimer and investigation of its stacking effect

  摘要：

  首次合成并表征了磷（v）四苯并三唑硼醛（PTBC）的μ-氧代二聚体。

  DOI：

  10.1039/c4cc01115e
• 作为产物：
  描述：

  4,5-二氯邻苯二甲酸酐 在 ammonium hydroxide 、 氯化亚砜 、 potassium carbonate 、 formamide 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 N,N-二甲基甲酰胺 作用下， 以 戊醇 、 二甲基亚砜 为溶剂， 反应 128.5h， 生成 2,3,9,10,16,17,23,24-octakis(phenoxy)phthalocyanine
  参考文献：
  名称：

  Wohrle; Eskes; Shigehara, Synthesis, 1993, # 2, p. 194 - 196

  摘要：

  DOI：

文献信息

• Synthesis of soluble halogenated aryloxy substituted indium phthalocyanines
  作者：Plater、Jeremiah、Bourhill

  DOI：10.1039/b107689m

  日期：2002.12.17

  Phthalocyanines solubilised by either 8 or 16 aryloxy or haloaryloxy groups are described. A series of phthalocyanine derivatives were prepared containing indium. 1,2-Dinitriles and the corresponding diiminoisoindolines were used as precursors. A naphthalocyanine metallated with indium and solubilised with four tert-butyl groups is reported.

  描述了通过8或16个芳氧或卤代芳氧基团溶解的酞菁。制备了一系列含铟的酞菁衍生物。1,2-二腈和相应的二亚胺异吲哚啉被用作前体。还报告了一种用铟金属化并通过四个叔丁基基团溶解的萘酞菁。
• Lanthanide(III) Double‐Decker Complexes with Octaphenoxy‐ or Octathiophenoxyphthalocyaninato Ligands – Revealing the Electron‐Withdrawing Nature of the Phenoxy and Thiophenoxy Groups in the Double‐Decker Complexes
  作者：Guifen Lu、Ming Bai、Renjie Li、Xianxi Zhang、Changqin Ma、Pui‐Chi Lo、Dennis K. P. Ng、Jianzhuang Jiang

  DOI：10.1002/ejic.200600295

  日期：2006.9

  heteroleptic and homoleptic bis(phthalocyaninato) lanthanide(III) complexes, namely M(Pc)[Pc(OPh)8], M[Pc(OPh)8]2, Eu(Pc)[Pc(SPh)8], and Eu[Pc(SPh)8]2 [M = Eu, Ho, Lu; Pc = unsubstituted phthalocyaninate; Pc(OPh)8 = 2,3,9,10,16,17,23,24-octaphenoxyphthalocyaninate; Pc(SPh)8 = 2,3,9,10,16,17,23,24-octathiophenoxyphthalocyaninate](1–8) have been prepared. The molecular structure of Eu[Pc(OPh)8]2 (4) has

  一系列杂配和均配的双(酞菁)镧系元素(III)配合物，即M(Pc)[Pc(OPh)8]、M[Pc(OPh)8]2、Eu(Pc)[Pc(SPh)8] , 和 Eu[Pc(SPh)8]2 [M = Eu, Ho, Lu; Pc = 未取代的酞菁；Pc(OPh)8 = 2,3,9,10,16,17,23,24-八苯氧基酞菁；Pc(SPh)8 = 2,3,9,10,16,17,23,24-octathiophenoxyphthalocyaninate](1–8) 已制备。Eu[Pc(OPh)8]2 (4) 的分子结构已通过单晶 X 射线衍射分析确定。所有新的夹心化合物都用各种光谱方法进行了表征。它们的电化学特性表明，在酞菁配体的外围位置引入苯氧基或噻吩氧基使双层比没有（硫代）苯氧基的类似化合物更难氧化且更容易还原。使用半经验 PM3 方法进行的理论计算表明，由吸电子取代基引起的这些配体前沿轨道能级
• Photophysical and photochemical properties of Ni(II), Pd(II) and Pt(II) aryloxo and alkylthio derivatised phthalocyanine
  作者：Taofeek B. Ogunbayo、Tebello Nyokong

  DOI：10.1016/j.molstruc.2010.03.047

  日期：2010.6

  Several aryloxo (3a-6a and 3b-6b) and alkylthio (3d and 3e) derivatised phthalocyanines were synthesized, characterized and the photochemical and photophysical properties investigated along with those of the previously reported (3c-5c, 4d, 5d, 4e and 5e) complexes. The effects of open-shell metals (Ni(II), Pd(II) and Pt(II)) on the photophysical and photochemical properties of the phthalocyanine ligands were investigated. Palladium and platinum improved the triplet quantum yield and singlet oxygen generation capacities of the unmetalated phthalocyanines (3a-3e) making their complexes candidates for further investigation in photocatalysis. Ni(II)Pc analogues gave poor results compared with their Pd(II)Pc and Pt(II)Pc counterparts. (C) 2010 Elsevier B.V. All rights reserved.
• Woehrle Dieter, Eskes Marco, Shigehara Kiyotaka, Yamada Akira, Synthesis, (1993) N 2, S 194-196
  作者：Woehrle Dieter, Eskes Marco, Shigehara Kiyotaka, Yamada Akira

  DOI：——

  日期：——