1-[[3,5-Bis[(2-aminobenzimidazol-1-yl)methyl]-2,4,6-triethylphenyl]methyl]benzimidazol-2-amine | 1309136-54-6

• 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: 1-[[3,5-Bis[(2-aminobenzimidazol-1-yl)methyl]-2,4,6-triethylphenyl]methyl]benzimidazol-2-amine
• 英文别名: 1-[[3,5-bis[(2-aminobenzimidazol-1-yl)methyl]-2,4,6-triethylphenyl]methyl]benzimidazol-2-amine
• CAS: 1309136-54-6
• 化学式: C₃₆H₃₉N₉
• 分子量: 597.766
• InChiKey: CCHQPBXJSZQNLS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  45
• 可旋转键数：
  9
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  132
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1-[[3,5-Bis[(2-aminobenzimidazol-1-yl)methyl]-2,4,6-triethylphenyl]methyl]benzimidazol-2-amine 、 四丁基碘化铵 以 水 、 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Chromogenic and Fluorescent Recognition of Iodide with a Benzimidazole-Based Tripodal Receptor

  摘要：

  A novel 1,3,5-substituted triethylbenzene derivative with a 2-aminobenzimidazole moiety as a binding and signaling subunit was synthesized. The sensor was tested in a buffered CH(3)CN/H(2)O (99:1, v/v) solution and found to be selective for iodide as demonstrated by the photophysical properties obtained through UV-vis absorption and fluorescence spectroscopy analyses.

  DOI：

  10.1021/ol2008846
• 作为产物：
  描述：

  2-氨基苯并咪唑 、 1,3,5-三(溴甲基)-2,4,6-三乙基苯 在 potassium hydroxide 作用下， 以 丙酮 为溶剂， 反应 5.33h， 以82%的产率得到1-[[3,5-Bis[(2-aminobenzimidazol-1-yl)methyl]-2,4,6-triethylphenyl]methyl]benzimidazol-2-amine
  参考文献：
  名称：

  Chromogenic and Fluorescent Recognition of Iodide with a Benzimidazole-Based Tripodal Receptor

  摘要：

  A novel 1,3,5-substituted triethylbenzene derivative with a 2-aminobenzimidazole moiety as a binding and signaling subunit was synthesized. The sensor was tested in a buffered CH(3)CN/H(2)O (99:1, v/v) solution and found to be selective for iodide as demonstrated by the photophysical properties obtained through UV-vis absorption and fluorescence spectroscopy analyses.

  DOI：

  10.1021/ol2008846

文献信息

• An azo dye-coupled tripodal chromogenic sensor for cyanide
  作者：Doo Youn Lee、Narinder Singh、Apuri Satyender、Doo Ok Jang

  DOI：10.1016/j.tetlet.2011.10.061

  日期：2011.12

  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.
• Chromogenic and Fluorescent Recognition of Iodide with a Benzimidazole-Based Tripodal Receptor
  作者：Doo Youn Lee、Narinder Singh、Min Joung Kim、Doo Ok Jang

  DOI：10.1021/ol2008846

  日期：2011.6.17

  A novel 1,3,5-substituted triethylbenzene derivative with a 2-aminobenzimidazole moiety as a binding and signaling subunit was synthesized. The sensor was tested in a buffered CH(3)CN/H(2)O (99:1, v/v) solution and found to be selective for iodide as demonstrated by the photophysical properties obtained through UV-vis absorption and fluorescence spectroscopy analyses.