2-hydroxy-6-{2-[2-(2-methoxyethoxy)ethoxy]ethoxy}-9,10-anthraquinone | 1220103-59-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 2-hydroxy-6-{2-[2-(2-methoxyethoxy)ethoxy]ethoxy}-9,10-anthraquinone
• CAS: 1220103-59-2
• 化学式: C₂₁H₂₂O₇
• 分子量: 386.401
• InChiKey: DAFZJDJWRCBEEX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.23
• 重原子数：
  28.0
• 可旋转键数：
  10.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  91.29
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  2-hydroxy-6-{2-[2-(2-methoxyethoxy)ethoxy]ethoxy}-9,10-anthraquinone 在 正丁基锂 、 potassium carbonate 作用下， 以 四氢呋喃 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 生成 methyl 4-((2-(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)-9,10-di(1,3-dithiol-2-ylidene)-9,10-dihydroanthracen-6-yloxy)methyl)benzoate
  参考文献：
  名称：

  Synthesis of tetrathiafulvalene-containing zirconium(IV) pincers and metallocavitands for hosting fullerenes

  摘要：

  The synthesis and spectroscopic characterization of zirconium(IV) dicarboxylate 1 and metallocavitand 2 are described. Encapsulation studies of fullerenes C-60 and C-70 were performed using UV-Vis spectroscopy in chlorobenzene, toluene, benzene, carbon disulfide and in a mixture of toluene/dichloromethane. UV-Vis titrations have shown that the binding abilities of the hosts toward fullerene C-70 are considerably higher than those obtained for fullerene C-60. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2014.04.034
• 作为产物：
  描述：

  2,6-二羟基蒽醌 、 对甲苯磺酸三缩乙二醇单甲醚酯 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以54%的产率得到2-hydroxy-6-{2-[2-(2-methoxyethoxy)ethoxy]ethoxy}-9,10-anthraquinone
  参考文献：
  名称：

  Synthesis, electropolymerization and oxidation kinetics of an anthraquinone-functionalized poly(3,4-ethylenedioxythiophene)

  摘要：

  The chemical synthesis of an EDOT derivative endowed with an electron acceptor anthraquinone moiety (AQ-EDOT) is described. The electrochemical polymerization of the monomer has been studied by cyclic voltammetry, chronoamperometry and chronopotentiometry. The monomer oxidation-polymerization takes places on platinum at potentials more positive than 1.3V vs. Ag/AgCl. The polymer film presents a stable redox process with E-0 = 0.22V, that can be assigned to the characteristic exchange process of the parent unsubstituted PEDOT polymer. An unstable redox process at E-0 = -1.00V, present decreasing charges on the consecutive cycles despite that the lost reduction charge is recovered by two irreversible oxidation processes taking place at high anodic potentials 0.00 and 0.16V. A structural charge trapping effects occurring by reduction at -1.1V and re-oxidation at 0.16V of the anthraquinone moiety is suggested. The stable redox process is not affected by cycling allowing the obtention of the oxidation empirical kinetics, kinetic coefficients and reaction orders. Different initial states attained by reduction at different cathodic potentials for a constant time were explored for the kinetic study. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.electacta.2009.10.011