| 199917-16-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• CAS: 199917-16-3
• 化学式: C₈₀H₃₀O₉
• 分子量: 1135.11
• InChiKey: INAIITDCXKSAEV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.98
• 重原子数：
  89.0
• 可旋转键数：
  20.0
• 环数：
  34.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  101.91
• 氢给体数：
  1.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  5,10,15-triphenyl-20-p-benzoic acid porphyrin 、 在 4-二甲氨基吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二硫化碳 、 二氯甲烷 为溶剂， 反应 12.0h， 以51%的产率得到
  参考文献：
  名称：

  Synthetic Approaches to a Variety of Covalently Linked Porphyrin−Fullerene Hybrids

  摘要：

  There is substantial interest in dyads in which C-60 is covalently linked to electron donors, such as porphyrins, which absorb light strongly in the visible region. We present here the details of the syntheses of such compounds, which can be broadly organized into categories depending upon the nature of the linker joining the two chromophores. The structural aspects of intramolecular electronic interaction that we have sought to explore have dictated the synthetic strategies employed to generate these classes of molecules. Flexible glycol linkers were used to allow close approach between the fullerene and porphyrin, facilitating through-space interactions. These linkers also allowed studies of the effects of metal cation complexation. Naphthalene and alkyne linkers were used to examine the possible effects a conjugated or aromatic linker might have on photophysical properties. Finally, steroids were used as linkers in dyads expected to possess a large distance between the two chromophores, in which only through-bond interactions between the fullerene and porphyrin should be possible.

  DOI：

  10.1021/jo010317x
• 作为产物：
  描述：

  三乙二醇单对甲苯磺酸酯 在 盐酸 、 4-二甲氨基吡啶 、 草酸 、 potassium carbonate 、 1-羟基苯并三唑 、 三乙胺 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 、 丙酮 为溶剂， 反应 35.08h， 生成
  参考文献：
  名称：

  Synthesis and photophysics of a novel porphyrin-C60 hybrid

  摘要：

  In the pursuit of a porphyrin-fullerene linked hybrid with increased solubility and superior cation complexation abilities, hybrid 1 was synthesized. The amphiphilic hybrid 1 was found to be slightly soluble in DMSO, displayed a lower affinity far metal cations than expected, and had a surprisingly high quantum yield (Phi(Delta)) for formation of singlet oxygen (O-1(2)). (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)10184-8