9,9-didodecylxanthene-4,5-diboronic acid | 1186197-00-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 9,9-didodecylxanthene-4,5-diboronic acid
• 英文别名: (5-Borono-9,9-didodecylxanthen-4-yl)boronic acid；(5-borono-9,9-didodecylxanthen-4-yl)boronic acid
• CAS: 1186197-00-1
• 化学式: C₃₇H₆₀B₂O₅
• 分子量: 606.502
• InChiKey: IIYIYZFNTKMHMZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.06
• 重原子数：
  44
• 可旋转键数：
  24
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  90.2
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3,6-Diphenylbenzene-1,2,4,5-tetrol 、 9,9-didodecylxanthene-4,5-diboronic acid 在 三溴化硼 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 1.0h， 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

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.