1,2-(3'-dodecanaminoformylcyclopropano)[60]fullerene

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 1,2-(3'-dodecanaminoformylcyclopropano)[60]fullerene
• 化学式: C₇₄H₂₇NO
• 分子量: 946.034
• InChiKey: XYJKANWXCNDONJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  19.5
• 重原子数：
  76
• 可旋转键数：
  12
• 环数：
  33.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  32.6
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  十二烷基伯胺 、 1,2-(3'-chloroformylcyclopropano)[60]fullerene 以 甲苯 为溶剂， 反应 4.0h， 以69%的产率得到1,2-(3'-dodecanaminoformylcyclopropano)[60]fullerene
  参考文献：
  名称：

  Toward Controlled Spacing in One-Dimensional Molecular Chains:  Alkyl-Chain-Functionalized Fullerenes in Carbon Nanotubes

  摘要：

  A range of fullerenes (C-60) functionalized with long alkyl chains have been synthesized and inserted into single-walled carbon nanotubes. The impact of the alkyl chain length and of the type of linker between the addend and the fullerene cage on the geometry of molecular arrays in nanotube has been studied by high-resolution transmission electron microscopy. In the presence of functional groups the mean interfullerene separations are significantly increased by 2-8 nm depending on the length of the alkyl chain, but the periodicity of the fullerene arrays is disrupted due to the conformational flexibility of the alkyl groups.

  DOI：

  10.1021/ja071803q

文献信息

• Toward Controlled Spacing in One-Dimensional Molecular Chains:  Alkyl-Chain-Functionalized Fullerenes in Carbon Nanotubes
  作者：Thomas W. Chamberlain、Andrew Camenisch、Neil R. Champness、G. Andrew D. Briggs、Simon C. Benjamin、Arzhang Ardavan、Andrei N. Khlobystov

  DOI：10.1021/ja071803q

  日期：2007.7.1

  A range of fullerenes (C-60) functionalized with long alkyl chains have been synthesized and inserted into single-walled carbon nanotubes. The impact of the alkyl chain length and of the type of linker between the addend and the fullerene cage on the geometry of molecular arrays in nanotube has been studied by high-resolution transmission electron microscopy. In the presence of functional groups the mean interfullerene separations are significantly increased by 2-8 nm depending on the length of the alkyl chain, but the periodicity of the fullerene arrays is disrupted due to the conformational flexibility of the alkyl groups.