2, 3, 8, 9, 14, 15, 20, 21-octakis [4',5',6',7'-tetrahydrobenzo]-25H,27H-tetra-2,3-thiophenophorphyrazine | 1417912-66-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2, 3, 8, 9, 14, 15, 20, 21-octakis [4',5',6',7'-tetrahydrobenzo]-25H,27H-tetra-2,3-thiophenophorphyrazine
• 英文别名: 11,23,35,47-Tetrathia-2,14,26,38,49,50,51,52-octazatridecacyclo[37.9.1.13,13.115,25.127,37.04,12.05,10.016,24.017,22.028,36.029,34.040,48.041,46]dopentaconta-1,3,5(10),12,14,16(24),17(22),25,27(50),28(36),29(34),37,39(49),40(48),41(46)-pentadecaene
• CAS: 1417912-66-3
• 化学式: C₄₀H₃₄N₈S₄
• 分子量: 755.028
• InChiKey: GOJZEPCFYJOOFA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.2
• 重原子数：
  52
• 可旋转键数：
  0
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  222
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  lutetium (III) acetate hydrate 、 2, 3, 8, 9, 14, 15, 20, 21-octakis [4',5',6',7'-tetrahydrobenzo]-25H,27H-tetra-2,3-thiophenophorphyrazine 在 1-十六烷醇 、 lithium methanolate 、 三氯苯 作用下， 反应 2.5h， 以63%的产率得到2,3,8,9,14,15,20,21-octakis [4''5',6',7'-tetrahydrobenzo]tetra-2,3-thiophenophorphyrazine lutetium acetate
  参考文献：
  名称：

  Novel planar and sandwich-type complexes of substituted tetrathieno[2,3-b] porphyrazine: Synthesis and investigation of properties

  摘要：

  An efficient synthetic approach to a novel substituted tetrathieno[2,3-b]porphyrazine, its Mg, Zn, Lu complexes and a Lu triple-decker complex was developed. Spectral properties and aggregation phenomena of the target compounds were investigated by UV/Vis spectroscopy and atomic force microscopy (AFM). Electrochromic behaviour of the Zn complex was studied by electrochemistry and spectroelectrochemistry. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2012.11.008
• 作为产物：
  描述：

  2,3,8,9,14,15,20,21-octakis [4',5',6',7'-tetrahydrobenzo]tetra-2,3-thiophenophorphyrazine magnesium 在 三氟乙酸 作用下， 以48%的产率得到2, 3, 8, 9, 14, 15, 20, 21-octakis [4',5',6',7'-tetrahydrobenzo]-25H,27H-tetra-2,3-thiophenophorphyrazine
  参考文献：
  名称：

  Novel planar and sandwich-type complexes of substituted tetrathieno[2,3-b] porphyrazine: Synthesis and investigation of properties

  摘要：

  An efficient synthetic approach to a novel substituted tetrathieno[2,3-b]porphyrazine, its Mg, Zn, Lu complexes and a Lu triple-decker complex was developed. Spectral properties and aggregation phenomena of the target compounds were investigated by UV/Vis spectroscopy and atomic force microscopy (AFM). Electrochromic behaviour of the Zn complex was studied by electrochemistry and spectroelectrochemistry. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2012.11.008