1-docosyloxymethylpyrene | 758723-62-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 1-docosyloxymethylpyrene
• 英文别名: 1-(docosoxymethyl)pyrene
• CAS: 758723-62-5
• 化学式: C₃₉H₅₆O
• 分子量: 540.873
• InChiKey: AORQDUSSIGIZJP-UHFFFAOYSA-N

物化性质

• 沸点：
  641.4±24.0 °C(Predicted)
• 密度：
  0.987±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  15.7
• 重原子数：
  40
• 可旋转键数：
  23
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  1-溴二十二烷 、 1-芘甲醇 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 48.0h， 以70%的产率得到1-docosyloxymethylpyrene
  参考文献：
  名称：

  Diminished Band-Gap Transitions of Single-Walled Carbon Nanotubes in Complexation with Aromatic Molecules

  摘要：

  The near-IR absorption spectrum of semiconducting single-walled carbon nanotubes is characterized by the transitions associated with the first (S11) and second (S22) pairs of van Hove singularities in the electronic density of states. We report that a significant effect on the transitions can be caused by non-covalent complexation of the nanotube with planar aromatic molecules such as pyrenes in solution, resulting in the absence of S11 and S22 bands in the near-IR absorption spectrum. Since the complexation is reversible, the characteristic absorption bands can be turned on and off with the complexation in a reversible fashion.

  DOI：

  10.1021/ja047691+

文献信息

• Diminished Band-Gap Transitions of Single-Walled Carbon Nanotubes in Complexation with Aromatic Molecules
  作者：K. A. Shiral Fernando、Yi Lin、Wei Wang、Satish Kumar、Bing Zhou、Su-Yuan Xie、LaShonda T. Cureton、Ya-Ping Sun

  DOI：10.1021/ja047691+

  日期：2004.8.1

  The near-IR absorption spectrum of semiconducting single-walled carbon nanotubes is characterized by the transitions associated with the first (S11) and second (S22) pairs of van Hove singularities in the electronic density of states. We report that a significant effect on the transitions can be caused by non-covalent complexation of the nanotube with planar aromatic molecules such as pyrenes in solution, resulting in the absence of S11 and S22 bands in the near-IR absorption spectrum. Since the complexation is reversible, the characteristic absorption bands can be turned on and off with the complexation in a reversible fashion.