2,2',2''-(((((2,4,6-triethylbenzene-1,3,5-triyl)tris(methylene))tris(1H-benzo[d]imidazole-1,2-diyl))tris(azanediyl))tris(methylene))triphenol | 1352147-58-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 2,2',2''-(((((2,4,6-triethylbenzene-1,3,5-triyl)tris(methylene))tris(1H-benzo[d]imidazole-1,2-diyl))tris(azanediyl))tris(methylene))triphenol
• CAS: 1352147-58-0
• 化学式: C₅₇H₅₇N₉O₃
• 分子量: 916.138
• InChiKey: DVZJQSHBCNWCEP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.52
• 重原子数：
  69.0
• 可旋转键数：
  18.0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  150.24
• 氢给体数：
  6.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  描述：

  2,2',2''-(((((2,4,6-triethylbenzene-1,3,5-triyl)tris(methylene))tris(1H-benzo[d]imidazole-1,2-diyl))tris(azanediyl))tris(methylene))triphenol 、 4-硝基氯化重氮苯 在 sodium hydroxide 作用下， 以 水 为溶剂， 反应 1.0h， 以70%的产率得到2,2',2''-(((((2,4,6-triethylbenzene-1,3,5-triyl)tris(methylene))tris(1H-benzo[d]imidazole-1,2-diyl))tris(azanediyl))tris(methylene))tris(4-((4-nitrophenyl)diazenyl)phenol)
  参考文献：
  名称：

  An azo dye-coupled tripodal chromogenic sensor for cyanide

  摘要：

  A tripodal receptor bearing phenol as a hydrogen bond donor site and azo dye as the signaling subunit was synthesized. The receptor had a high binding affinity for CN- as signaled by the change in the color of a solution of sensor 4 upon addition of CN-. Using UV-Vis spectroscopy, the system can be used to quantify 0-19 x 10(-5) mol L-1 of CN-, and the sensor was found to successfully function in the presence of other anions. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.10.061
• 作为产物：
  描述：

  在 sodium tetrahydroborate 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 12.0h， 以142 mg的产率得到2,2',2''-(((((2,4,6-triethylbenzene-1,3,5-triyl)tris(methylene))tris(1H-benzo[d]imidazole-1,2-diyl))tris(azanediyl))tris(methylene))triphenol
  参考文献：
  名称：

  An azo dye-coupled tripodal chromogenic sensor for cyanide

  摘要：

  A tripodal receptor bearing phenol as a hydrogen bond donor site and azo dye as the signaling subunit was synthesized. The receptor had a high binding affinity for CN- as signaled by the change in the color of a solution of sensor 4 upon addition of CN-. Using UV-Vis spectroscopy, the system can be used to quantify 0-19 x 10(-5) mol L-1 of CN-, and the sensor was found to successfully function in the presence of other anions. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.10.061