2-bromo-1,3-bis(benzotriazol-1-ylmethyl)benzene | 1428869-89-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并三唑类
• 英文名称: 2-bromo-1,3-bis(benzotriazol-1-ylmethyl)benzene
• CAS: 1428869-89-9
• 化学式: C₂₀H₁₅BrN₆
• 分子量: 419.283
• InChiKey: XSJYDJGNPNLDJZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.04
• 重原子数：
  27.0
• 可旋转键数：
  4.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  61.42
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  T406石油添加剂 、 2-溴-1,3-双(溴乙基)苯 以 甲苯 为溶剂， 反应 48.0h， 以66%的产率得到2-bromo-1,3-bis(benzotriazol-1-ylmethyl)benzene
  参考文献：
  名称：

  Synthesis and structural characterization of new 2-bromo-1,3-bis(triazol-1-ylmethyl)benzene ligands. Study of their behavior as complexing agents for determination of nickel(II) by adsorptive stripping voltammetry

  摘要：

  Reaction of 2-bromo-1,3-bis(bromomethyl)benzene (1) with 1,2,3-triazole and benzotriazole yields 2-bromo-1,3-bis(triazol-1-ylmethyl)benzene (2) and 2-bromo-1,3-bis(benzotriazol-1-ylmethyl)benzene (3), isolated as white solids, air stable at room temperature, and characterized by elemental analysis, mass spectra, IR, and NMR (1H, 13C) spectroscopy. The molecular structure of 3 was determined by single-crystal X-ray diffraction. These ligands were evaluated for determination of ultra-trace concentrations of nickel by adsorptive stripping voltammetry. The method is based on adsorptive accumulation of the Ni(II)-L complex onto a hanging mercury drop electrode, followed by reduction of the adsorbed species by voltammetric scan using square wave modulation. However, only with 2 was a signal observed at 0.81V. Under the best experimental conditions (pH 5.5; ligand concentration 0.30molL1; adsorptive potential (E ads) 0.70V and adsorptive time (t ads) 80 s), the peak current is proportional to the Ni(II) concentration to 15.0gL1, with a 3 detection limit of 0.2gL1. The proposed method was validated by determining Ni(II) in certified reference waste water (SPSWW1) with satisfactory results.

  DOI：

  10.1080/00958972.2013.764997