1,2,5,6,9,10-hexamethoxycoronene | 1048039-04-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 1,2,5,6,9,10-hexamethoxycoronene
• 英文别名: 1,2,5,6,9,10-Hexamethoxycoronene
• CAS: 1048039-04-8
• 化学式: C₃₀H₂₄O₆
• 分子量: 480.517
• InChiKey: VWDZGJBMOMGQIH-UHFFFAOYSA-N

物化性质

• 沸点：
  650.5±50.0 °C(Predicted)
• 密度：
  1.377±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  36
• 可旋转键数：
  6
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  55.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1,2,5,6,9,10-hexamethoxycoronene 在 三溴化硼 、 硝酸 作用下， 以 二氯甲烷 为溶剂， 生成 1,2,5,6,9,10-coronene-hexaone
  参考文献：
  名称：

  Star-Shaped Tetrathiafulvalene-Fused Coronene with Large π-Extended Conjugation

  摘要：

  A tristar shaped, planar TTF-fused coronene I was synthesized, its electronic properties have been studied experimentally by the combination of electrochemistry and UV-vis-NIR spectroscopy. Thereby, a nanosized graphite fragment is largely extended in its size, supplemented with a multielectron donor functionality, and shaped to a strongly chromophoric species absorbing intensely in the visible part of the optical spectrum.

  DOI：

  10.1021/jo901054b
• 作为产物：
  描述：

  hexamethoxy[2.2.2]paracyclophanetriene 在 碘 、 methyloxirane 作用下， 以 环己烷 为溶剂， 反应 15.0h， 生成 1,2,5,6,9,10-hexamethoxycoronene
  参考文献：
  名称：

  Star-Shaped Tetrathiafulvalene-Fused Coronene with Large π-Extended Conjugation

  摘要：

  A tristar shaped, planar TTF-fused coronene I was synthesized, its electronic properties have been studied experimentally by the combination of electrochemistry and UV-vis-NIR spectroscopy. Thereby, a nanosized graphite fragment is largely extended in its size, supplemented with a multielectron donor functionality, and shaped to a strongly chromophoric species absorbing intensely in the visible part of the optical spectrum.

  DOI：

  10.1021/jo901054b

文献信息

• Entry to Coronene Chemistry-Making Large Electron Donors and Acceptors
  作者：Ralph Rieger、Marcel Kastler、Volker Enkelmann、Klaus Müllen

  DOI：10.1002/chem.200800832

  日期：2008.7.18
• Star-Shaped Tetrathiafulvalene-Fused Coronene with Large π-Extended Conjugation
  作者：Hong-Peng Jia、Shi-Xia Liu、Lionel Sanguinet、Eric Levillain、Silvio Decurtins

  DOI：10.1021/jo901054b

  日期：2009.8.7

  A tristar shaped, planar TTF-fused coronene I was synthesized, its electronic properties have been studied experimentally by the combination of electrochemistry and UV-vis-NIR spectroscopy. Thereby, a nanosized graphite fragment is largely extended in its size, supplemented with a multielectron donor functionality, and shaped to a strongly chromophoric species absorbing intensely in the visible part of the optical spectrum.