2-[4-(3,9-Dithia-6,15-diazabicyclo[9.3.1]pentadeca-1(15),11,13-trien-6-yl)phenyl]ethene-1,1,2-tricarbonitrile | 921603-57-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 2-[4-(3,9-Dithia-6,15-diazabicyclo[9.3.1]pentadeca-1(15),11,13-trien-6-yl)phenyl]ethene-1,1,2-tricarbonitrile
• CAS: 921603-57-8
• 化学式: C₂₂H₁₉N₅S₂
• 分子量: 417.558
• InChiKey: PQVQQYJJHHYWAG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  29
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  138
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  mercury(II) perchlorate 、 2-[4-(3,9-Dithia-6,15-diazabicyclo[9.3.1]pentadeca-1(15),11,13-trien-6-yl)phenyl]ethene-1,1,2-tricarbonitrile 以 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Chromoionophoric N2S2 macrocycles exhibiting mercury(II) selectivity

  摘要：

  Two chromogenic N2S2-donor macrocycles functionalized with p-nitroazobenzene (L-1) and phenyltricyanovinyl (L-2) units were synthesized from an N-phenylated macrocyclic precursor (1) and structurally characterized by single crystal X-ray analyses. Interestingly, L-1 and L-2 exhibited excellent Hg2+ selectivity by showing the drastic metal-induced color change. from red to colorless (Delta lambda(max) = 137 - 140 nm). The sensing ability for Hg2+ with the proposed chromoionophores is due to the stable complexation with 1:1 stoichiometry (metal-to-ligand), which was,elucidated by spectrophotometry. (C) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2006.03.005