2,2'-(4,4'-dinitrobiphenyl)-N,N'-dimethyl-2,19-dicarboxy-9,12-diaza-benzo-22-crown-6 | 918826-30-9

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: 2,2'-(4,4'-dinitrobiphenyl)-N,N'-dimethyl-2,19-dicarboxy-9,12-diaza-benzo-22-crown-6
• 英文别名: 15,22-Dimethyl-5,32-dinitro-9,12,25,28-tetraoxa-15,22-diazatetracyclo[28.4.0.02,7.016,21]tetratriaconta-1(30),2(7),3,5,16,18,20,31,33-nonaene-8,29-dione；15,22-dimethyl-5,32-dinitro-9,12,25,28-tetraoxa-15,22-diazatetracyclo[28.4.0.02,7.016,21]tetratriaconta-1(30),2(7),3,5,16,18,20,31,33-nonaene-8,29-dione
• CAS: 918826-30-9
• 化学式: C₃₀H₃₂N₄O₁₀
• 分子量: 608.605
• InChiKey: BPHMRQCAMWRNAU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  44
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  169
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  2,2'-(4,4'-dinitrobiphenyl)-N,N'-dimethyl-2,19-dicarboxy-9,12-diaza-benzo-22-crown-6 、 聚合甲醛 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 、 水 为溶剂， 反应 0.75h， 以80%的产率得到5,32-Bis(dimethylamino)-15,22-dimethyl-9,12,25,28-tetraoxa-15,22-diazatetracyclo[28.4.0.02,7.016,21]tetratriaconta-1(30),2(7),3,5,16,18,20,31,33-nonaene-8,29-dione
  参考文献：
  名称：

  4,4′-Substituted biphenyl coronands. Preparation of a new selective fluorescent sensor for mercury salts

  摘要：

  Six new 4,4'-substituted biphenyl coronands have been prepared. The ligands containing dimethylamino groups in the biphenyl moiety have been used in transition metal cations' complexation and one of them (3) has demonstrated to be a selective fluorescent sensor for mercury. Stoichiometries of the formed complexes and complexation constants have been determined by titration experiments. In addition, the extractant ability of some ligands has also been studied. Finally, the electrochemical properties of some of these ligands are also described. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2006.09.084
• 作为产物：
  描述：

  1-N,2-N-二甲基苯-1,2-二胺 在 四丁基碘化铵 、 potassium carbonate 、 sodium iodide 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 72.0h， 生成 2,2'-(4,4'-dinitrobiphenyl)-N,N'-dimethyl-2,19-dicarboxy-9,12-diaza-benzo-22-crown-6
  参考文献：
  名称：

  4,4′-Substituted biphenyl coronands. Preparation of a new selective fluorescent sensor for mercury salts

  摘要：

  Six new 4,4'-substituted biphenyl coronands have been prepared. The ligands containing dimethylamino groups in the biphenyl moiety have been used in transition metal cations' complexation and one of them (3) has demonstrated to be a selective fluorescent sensor for mercury. Stoichiometries of the formed complexes and complexation constants have been determined by titration experiments. In addition, the extractant ability of some ligands has also been studied. Finally, the electrochemical properties of some of these ligands are also described. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2006.09.084

文献信息

• 4,4′-Substituted biphenyl coronands. Preparation of a new selective fluorescent sensor for mercury salts
  作者：Ana M. Costero、M. José Bañuls、M. José Aurell、Antonio Doménech

  DOI：10.1016/j.tet.2006.09.084

  日期：2006.12

  Six new 4,4'-substituted biphenyl coronands have been prepared. The ligands containing dimethylamino groups in the biphenyl moiety have been used in transition metal cations' complexation and one of them (3) has demonstrated to be a selective fluorescent sensor for mercury. Stoichiometries of the formed complexes and complexation constants have been determined by titration experiments. In addition, the extractant ability of some ligands has also been studied. Finally, the electrochemical properties of some of these ligands are also described. (c) 2006 Elsevier Ltd. All rights reserved.