1,3,5-tris(1-hexadecyl-1H-benzo[d]imidazol-2-yl)benzene

• 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-tris(1-hexadecyl-1H-benzo[d]imidazol-2-yl)benzene
• 英文别名: 2-[3,5-Bis(1-hexadecylbenzimidazol-2-yl)phenyl]-1-hexadecylbenzimidazole；2-[3,5-bis(1-hexadecylbenzimidazol-2-yl)phenyl]-1-hexadecylbenzimidazole
• 化学式: C₇₅H₁₁₄N₆
• 分子量: 1099.77
• InChiKey: NLQDTWATYVXWDG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  28.5
• 重原子数：
  81
• 可旋转键数：
  48
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  53.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1,3,5-三(1H-苯并[D]咪唑-2-基)苯 、 溴代十六烷 在 sodium hydroxide 作用下， 以 乙腈 为溶剂， 反应 12.0h， 以95%的产率得到1,3,5-tris(1-hexadecyl-1H-benzo[d]imidazol-2-yl)benzene
  参考文献：
  名称：

  Benzimidazole Derivatives: Selective Fluorescent Chemosensors for the Picogram Detection of Picric Acid

  摘要：

  1,3,5-Tri(1H-benzo[d]imidazol-2-yl)benzene derivatives, as a new kind of fluorescent chemosensor for the detection of nitroaromatic explosives, are designed and synthesized by simple N-hydrocarbylation. Among 16 obtained compounds, compound 4g has the best capability for detection of picric acid (PA), having good selectivity and high sensitivity. The detection of PA with 4g solution-coated paper strips at the picogram level is developed. A simple, portable, and low-cost method is provided for detecting PA in solution and contact mode.

  DOI：

  10.1021/jo502281b

文献信息

• Benzimidazole Derivatives: Selective Fluorescent Chemosensors for the Picogram Detection of Picric Acid
  作者：Jin-Feng Xiong、Jian-Xiao Li、Guang-Zhen Mo、Jing-Pei Huo、Jin-Yan Liu、Xiao-Yun Chen、Zhao-Yang Wang

  DOI：10.1021/jo502281b

  日期：2014.12.5

  1,3,5-Tri(1H-benzo[d]imidazol-2-yl)benzene derivatives, as a new kind of fluorescent chemosensor for the detection of nitroaromatic explosives, are designed and synthesized by simple N-hydrocarbylation. Among 16 obtained compounds, compound 4g has the best capability for detection of picric acid (PA), having good selectivity and high sensitivity. The detection of PA with 4g solution-coated paper strips at the picogram level is developed. A simple, portable, and low-cost method is provided for detecting PA in solution and contact mode.