9,10-bis(pyridiniomethyl)anthracene dichloride | 4914-16-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 9,10-bis(pyridiniomethyl)anthracene dichloride
• 英文别名: 9,10-bis(1-pyridiniomethyl)anthracene dichloride
• CAS: 4914-16-3
• 化学式: C₂₆H₂₂N₂*2Cl
• 分子量: 433.38
• InChiKey: XTAXHHWJIZQDNG-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.67
• 重原子数：
  29.0
• 可旋转键数：
  4.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  7.76
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  吡啶 、 9,10-二(氯甲基)蒽 反应 1.0h， 以71%的产率得到9,10-bis(pyridiniomethyl)anthracene dichloride
  参考文献：
  名称：

  摘要：

  Water-soluble anthracene derivatives containing carboxy, dihydroxyphosphinyl, or pyridinium fragments bound via methylene groups to 9- and 10-carbon atoms were prepared, and their spectra, solubility, and reactivity toward singlet oxygen were studied. Using sodium alpha,alpha '-(anthracene-9,10-diyl)bis(methylmalonate) as acceptor, it is possible to determine the quantum efficiency of singlet oxygen generation in aqueous solutions and in microheterogeneous media in the presence of biomacromolecules.

  DOI：

  10.1023/a:1012369120376

文献信息

• 9,10-Bis(1-pyridiniomethyl)anthracene Dichloride–Methanol–Water (1/2/1)
  作者：J. C. Bryan、A. A. Gakh、R. A. Sachleben

  DOI：10.1107/s0108270196011432

  日期：1996.12.15

  The title compound, 9,10-bis(1-pyridiniomethyl)anthracene dichloride, crystallizes as the methanol/water solvate C26H22N22+.2Cl-.2CH(3)OH.H2O, with a one-dimensional network of hydrogen bonds. Two formula units make up the asymmetric unit. The pyridine rings are on the same side of the anthracene plane.