5,10-(diphenyl)-19-(4-ethynylphenyl)-25-oxasmaragdyrin | 1338370-20-9

• 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: 5,10-(diphenyl)-19-(4-ethynylphenyl)-25-oxasmaragdyrin
• CAS: 1338370-20-9
• 化学式: C₄₃H₂₈N₄O
• 分子量: 616.722
• InChiKey: ZHUWUPGFWYCLPV-BZQZOUAPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.99
• 重原子数：
  48.0
• 可旋转键数：
  3.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  73.4
• 氢给体数：
  3.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  5-(4-azidophenyl)-10,15,20-tri(p-tolyl)zinc(II) porphyrin 、 5,10-(diphenyl)-19-(4-ethynylphenyl)-25-oxasmaragdyrin 在 copper(l) iodide 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 9.0h， 以65%的产率得到
  参考文献：
  名称：

  Synthesis and properties of porphyrin-expanded porphyrin click dyads

  摘要：

  Six covalently linked 1,2,3-triazole bridged porphyrin-expanded porphyrin dyads containing Zn(II) porphyrin as energy donor and thiarubyrin, oxasmaragdyrin and BF2-oxasmaragdyrin as energy acceptors were synthesized under click reaction conditions. The click dyads were synthesized by coupling of azido Zn(II) porphyrin with ethynyl functionalized expanded porphyrins under Cu(I) catalyzed mild reaction conditions. Both rigid and flexible triazole bridges were used to understand the interaction between the Zn(II) porphyrin and expanded porphyrin units in dyads. The dyads were characterized by mass, NMR, absorption, fluorescence and electrochemical studies. The NMR, absorption and electrochemical studies indicated that the Zn(II) porphyrin and expanded porphyrin units in dyads interact weakly and maintain their independent characteristic features. The fluorescence studies indicated a possibility of energy transfer from donor Zn(II) porphyrin unit to expanded porphyrin unit such as oxasmaragdyrin and BF2-oxasmaragdyrin units in both flexible and rigid porphyrin-expanded porphyrin dyads. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.07.013