1,4-bis(4''-(pentyl)-1,1',1’'-terphenyl-4-yl)-2,3,5,6-tetramethoxybenzene | 1569407-44-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1,4-bis(4''-(pentyl)-1,1',1’'-terphenyl-4-yl)-2,3,5,6-tetramethoxybenzene
• 英文别名: 1,2,4,5-Tetramethoxy-3,6-bis[4-[4-(4-pentylphenyl)phenyl]phenyl]benzene；1,2,4,5-tetramethoxy-3,6-bis[4-[4-(4-pentylphenyl)phenyl]phenyl]benzene
• CAS: 1569407-44-8
• 化学式: C₅₆H₅₈O₄
• 分子量: 795.074
• InChiKey: AZWFPIMJUDORTA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.4
• 重原子数：
  60
• 可旋转键数：
  18
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  36.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,4-bis(4''-(pentyl)-1,1',1’'-terphenyl-4-yl)-2,3,5,6-tetramethoxybenzene 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成
  参考文献：
  名称：

  Synthesis of cyclic compounds consisting of face-to-face p-oligophenyls

  摘要：

  Facile synthesis of xanthene-based pi-stacked compounds consisting of face-to-face p-oligophenyls has been described. Just by mixing xanthene-4,5-diboronic acid and p-oligophenyls containing a benzenetetraol unit yielded cyclic compounds selectively due to the reversibility of the boronate esterification. In the ground state, weak pi-pi interactions between two p-oligophenyl moieties were observed, whereas their pi-pi interactions were clearly shown in the excited state. (c) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.01.093
• 作为产物：
  描述：

  对溴戊基联苯 在 2-双环己基膦-2',6'-二甲氧基联苯 、 盐酸 、 tris-(dibenzylideneacetone)dipalladium(0) 、 正丁基锂 、 potassium carbonate 作用下， 以 乙醚 、 乙醇 、 水 、 甲苯 为溶剂， 反应 2.0h， 生成 1,4-bis(4''-(pentyl)-1,1',1’'-terphenyl-4-yl)-2,3,5,6-tetramethoxybenzene
  参考文献：
  名称：

  Synthesis of cyclic compounds consisting of face-to-face p-oligophenyls

  摘要：

  Facile synthesis of xanthene-based pi-stacked compounds consisting of face-to-face p-oligophenyls has been described. Just by mixing xanthene-4,5-diboronic acid and p-oligophenyls containing a benzenetetraol unit yielded cyclic compounds selectively due to the reversibility of the boronate esterification. In the ground state, weak pi-pi interactions between two p-oligophenyl moieties were observed, whereas their pi-pi interactions were clearly shown in the excited state. (c) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.01.093

文献信息

• Synthesis of cyclic compounds consisting of face-to-face p-oligophenyls
  作者：Yasuhiro Morisaki、Yuichi Tsuji、Yoshiki Chujo

  DOI：10.1016/j.tetlet.2014.01.093

  日期：2014.2

  Facile synthesis of xanthene-based pi-stacked compounds consisting of face-to-face p-oligophenyls has been described. Just by mixing xanthene-4,5-diboronic acid and p-oligophenyls containing a benzenetetraol unit yielded cyclic compounds selectively due to the reversibility of the boronate esterification. In the ground state, weak pi-pi interactions between two p-oligophenyl moieties were observed, whereas their pi-pi interactions were clearly shown in the excited state. (c) 2014 Elsevier Ltd. All rights reserved.