2,9,16,23-tetrakis-(6-(thiophene-2-carboxylate)-hexylthio)phthalocyanine | 960596-70-7

• 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: 2,9,16,23-tetrakis-(6-(thiophene-2-carboxylate)-hexylthio)phthalocyanine
• 英文别名: 6-[[15,24,33-Tris[6-(thiophene-2-carbonyloxy)hexylsulfanyl]-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(37),2,4(9),5,7,10(40),12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaen-6-yl]sulfanyl]hexyl thiophene-2-carboxylate
• CAS: 960596-70-7
• 化学式: C₇₆H₇₄N₈O₈S₈
• 分子量: 1484.0
• InChiKey: RBZGVSHYUZLIEM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  20.4
• 重原子数：
  100
• 可旋转键数：
  40
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  428
• 氢给体数：
  2
• 氢受体数：
  22

反应信息

• 作为反应物：
  描述：

  6-(3,4-dicyanophenylthio)-hexylthiophene-2-carboxylate 、 2,9,16,23-tetrakis-(6-(thiophene-2-carboxylate)-hexylthio)phthalocyanine 、 copper dichloride 以 further solvent(s) 为溶剂， 以18.56%的产率得到2,9,16,23-tetrakis-(6-(thiophene-2-carboxylate)-hexylthio)phthalocyaninato copper(II)
  参考文献：
  名称：

  Metal-ion sensing and aggregation studies on reactive phthalocyanines bearing soft-metal receptor moieties; synthesis, spectroscopy and electrochemistry

  摘要：

  Tetrasubstituted metal-free {2H[Pc(S(CH2)(6)OCOC4H3S)(4)]} and copperphthalocyanine {Cu[Pc(S(CH2)(6)OCOC4H3S)(4)]}, bearing thiophene-2-carboxylate-hexylthio moieties, have been prepared as isomeric mixtures via cyclo-tetramerization. Both new compounds have been characterized by elemental analysis, FTIR, H-1 and C-13 NMR, MS (Maldi-TOF) and UV-Vis spectral data, The cation binding abilities of the functional phthalocyanines with Ag-I, Pd-II, Hg-II, Pb-II and Cd-II are evaluated by a monomer-oligomer formation technique with U-V-Vis spectroscopy. Spectroscopic properties of the complexes were affected strongly by the electron-donating sulfanyl units on the periphery. Cyclic voltammetry and differential pulse voltammetry studies show that both compounds give up to three ligand based reduction processes and one ligand-based oxidation process having diffusion-controlled one electron transfer properties. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2007.07.042