4,4'-(5-(tert-butyl)-1,3-phenylene)bis(1-(anthracen-9-ylmethyl)-1H-1,2,3-triazole) | 1446124-83-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 4,4'-(5-(tert-butyl)-1,3-phenylene)bis(1-(anthracen-9-ylmethyl)-1H-1,2,3-triazole)
• CAS: 1446124-83-9
• 化学式: C₄₄H₃₆N₆
• 分子量: 648.81
• InChiKey: ZRDNUGIGKHTXEH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.21
• 重原子数：
  50.0
• 可旋转键数：
  6.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  61.42
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  4,4'-(5-(tert-butyl)-1,3-phenylene)bis(1-(anthracen-9-ylmethyl)-1H-1,2,3-triazole) 、 trimethoxonium tetrafluoroborate 以 二氯甲烷 为溶剂， 以81%的产率得到
  参考文献：
  名称：

  A novel anthracene-appended triazolium for fluorescent sensing to H2PO4-

  摘要：

  A novel anthracene-based anion receptor 1 bearing two 1,2,3-triazolium donor groups has been designed and synthesized. In competitive solvents, compound 1 shows effective selectivity toward H2PO4- in a fluorescence enhancement effect, with no interference from other anions. (C) 2013 The Authors. Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.05.033
• 作为产物：
  描述：

  9-(azidomethyl)anthracene 、 1-tert-butyl-3,5-diethynylbenzene 在 triethylphosphite copper(I) iodide complex 作用下， 以 甲苯 为溶剂， 反应 0.75h， 以86%的产率得到4,4'-(5-(tert-butyl)-1,3-phenylene)bis(1-(anthracen-9-ylmethyl)-1H-1,2,3-triazole)
  参考文献：
  名称：

  A novel anthracene-appended triazolium for fluorescent sensing to H2PO4-

  摘要：

  A novel anthracene-based anion receptor 1 bearing two 1,2,3-triazolium donor groups has been designed and synthesized. In competitive solvents, compound 1 shows effective selectivity toward H2PO4- in a fluorescence enhancement effect, with no interference from other anions. (C) 2013 The Authors. Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.05.033