| 361369-70-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• CAS: 361369-70-2
• 化学式: C₇₂H₂₀O₃Si
• 分子量: 961.034
• InChiKey: KWAWKIGQXWWSJH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  18.49
• 重原子数：
  76
• 可旋转键数：
  6
• 环数：
  33.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  在 盐酸 、 二硫化碳 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 8.0h， 以95%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：

  4-(tert-butyldimethylsilyloxy)-2-butyn-1-ol 、 (1,2-甲桥富勒烯C60)-61-羧酸 在 4-二甲氨基吡啶 、 1-羟基苯并三唑 、 N,N'-二环己基碳二亚胺 作用下， 以 二甲基亚砜 为溶剂， 反应 16.0h， 以53%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

文献信息

• Synthetic Approaches to a Variety of Covalently Linked Porphyrin−Fullerene Hybrids
  作者：Shaun MacMahon、Robert Fong、Phil S. Baran、Igor Safonov、Stephen R. Wilson、David I. Schuster

  DOI：10.1021/jo010317x

  日期：2001.8.1

  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.