9,10-Dihydro-2,3,6,7-tetramethoxy-9,10-dimethyl-9,10-ethano-anthracen | 98333-19-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 9,10-Dihydro-2,3,6,7-tetramethoxy-9,10-dimethyl-9,10-ethano-anthracen
• 英文别名: 9,10-dihydro-2,3,6,7-tetramethoxy-9,10-dimethyl-9,10-ethanoanthracene；4,5,11,12-Tetramethoxy-1,8-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene；4,5,11,12-tetramethoxy-1,8-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene
• CAS: 98333-19-8
• 化学式: C₂₂H₂₆O₄
• 分子量: 354.446
• InChiKey: CMSNWFMLHSQIBJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  36.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  9,10-dimethyl-9,10-ethano-9,10-dihydro-2,3,6,7-tetrahydroxy-anthracene 、 硫酸二甲酯 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 生成 9,10-Dihydro-2,3,6,7-tetramethoxy-9,10-dimethyl-9,10-ethano-anthracen
  参考文献：
  名称：

  X-ray Structural Characterization of Charge Delocalization onto the Three Equivalent Benzenoid Rings in Hexamethoxytriptycene Cation Radical

  摘要：

  Definitive X-ray crystallographic evidence is obtained for a single hole (or a polaron) to be uniformly distributed on the three equivalent 1,2-dimethoxybenzenoid (or veratrole) rings in the hexamethoxytriptycene cation radical. This conclusion is further supported by electrochemical analysis and by the observation of an intense near-IR transition in its electronic spectrum, as well as by comparison of the spectral and electrochemical characteristics with the model compounds containing one and two dimethoxybenzene rings.

  DOI：

  10.1021/ol900558s

文献信息

• X-ray Structural Characterization of Charge Delocalization onto the Three Equivalent Benzenoid Rings in Hexamethoxytriptycene Cation Radical
  作者：Vincent J. Chebny、Tushar S. Navale、Ruchi Shukla、Sergey V. Lindeman、Rajendra Rathore

  DOI：10.1021/ol900558s

  日期：2009.6.4

  Definitive X-ray crystallographic evidence is obtained for a single hole (or a polaron) to be uniformly distributed on the three equivalent 1,2-dimethoxybenzenoid (or veratrole) rings in the hexamethoxytriptycene cation radical. This conclusion is further supported by electrochemical analysis and by the observation of an intense near-IR transition in its electronic spectrum, as well as by comparison of the spectral and electrochemical characteristics with the model compounds containing one and two dimethoxybenzene rings.