4-((2-(2-(2-(2-Methoxyethoxy)ethoxy)ethoxy)-9,10-di(1,3-dithiol-2-ylidene)-9,10-dihydroanthracen-6-yloxy)methyl)benzoic acid

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 4-((2-(2-(2-(2-Methoxyethoxy)ethoxy)ethoxy)-9,10-di(1,3-dithiol-2-ylidene)-9,10-dihydroanthracen-6-yloxy)methyl)benzoic acid
• 英文别名: 4-[[9,10-Bis(1,3-dithiol-2-ylidene)-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]anthracen-2-yl]oxymethyl]benzoic acid；4-[[9,10-bis(1,3-dithiol-2-ylidene)-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]anthracen-2-yl]oxymethyl]benzoic acid
• 化学式: C₃₅H₃₂O₇S₄
• 分子量: 692.899
• InChiKey: GBFLSFRIEOZXIY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  46
• 可旋转键数：
  14
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  185
• 氢给体数：
  1
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  二氯二茂锆 、 4-((2-(2-(2-(2-Methoxyethoxy)ethoxy)ethoxy)-9,10-di(1,3-dithiol-2-ylidene)-9,10-dihydroanthracen-6-yloxy)methyl)benzoic acid 在 sodium hydroxide 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 0.5h， 生成
  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 在 正丁基锂 、 potassium carbonate 、 lithium hydroxide 作用下， 以 四氢呋喃 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 生成 4-((2-(2-(2-(2-Methoxyethoxy)ethoxy)ethoxy)-9,10-di(1,3-dithiol-2-ylidene)-9,10-dihydroanthracen-6-yloxy)methyl)benzoic acid
  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

文献信息

• Synthesis of tetrathiafulvalene-containing zirconium(IV) pincers and metallocavitands for hosting fullerenes
  作者：Hassan Iden、Jean-François Morin、Frédéric-Georges Fontaine

  DOI：10.1016/j.ica.2014.04.034

  日期：2014.10

  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.