3-(3-hydroxypropyl)-1-(pyridin-2-ylmethyl)-1H-benzimidazolium bromide | 1609104-33-7

• 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: 3-(3-hydroxypropyl)-1-(pyridin-2-ylmethyl)-1H-benzimidazolium bromide
• CAS: 1609104-33-7
• 化学式: Br*C₁₆H₁₈N₃O
• 分子量: 348.242
• InChiKey: QYZADDGENGCCHX-UHFFFAOYSA-M

物化性质

• 熔点：
  142.5-143.6 °C

计算性质

• 辛醇/水分配系数(LogP)：
  -1.24
• 重原子数：
  21.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  41.93
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  1-(吡啶-2-基甲基)苯并咪唑 、 3-溴-1-丙醇 以 乙腈 为溶剂， 反应 48.0h， 以62%的产率得到3-(3-hydroxypropyl)-1-(pyridin-2-ylmethyl)-1H-benzimidazolium bromide
  参考文献：
  名称：

  Synthesis of new benzimidazolium salts with tunable emission intensities and their application as fluorescent probes for Fe3+ in pure aqueous media

  摘要：

  A series of novel, water-soluble benzimidazolium salts with common 'fluorophore-spacer-receptor' PET design has been synthesized. Despite the common PET scaffold these benzimidazolium salts displayed diverse emission intensities in pure aqueous solutions. The observed emission intensities were found to be influenced by the functionalized alkyl side arms present on the benzimidazolium ring. These benzimidazolium salts were also found to act as selective sensors for Fe3+ ions over other metal ions like Na+, K+, Ca2+, Mg2+, Ba2+, Al3+, Cr3+, Co2+, Ni2+, Mn2+, Zn2+, Pb2+, Ag+, Cu2+ and Hg2+ in pure aqueous media. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.01.127