3',6'-bis(ethylamino)-2',7'-dimethyl-2-[(E)-quinolin-2-ylmethylideneamino]spiro[isoindole-3,9'-xanthene]-1-one;mercury(2+);diiodide | 1352709-80-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 3',6'-bis(ethylamino)-2',7'-dimethyl-2-[(E)-quinolin-2-ylmethylideneamino]spiro[isoindole-3,9'-xanthene]-1-one;mercury(2+);diiodide
• CAS: 1352709-80-8
• 化学式: C₃₆H₃₃HgI₂N₅O₂
• 分子量: 1022.09
• InChiKey: UXVSSOZEUFXCSQ-NOLGNFESSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  1.61
• 重原子数：
  46
• 可旋转键数：
  5
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  78.8
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  3',6'-bis(ethylamino)-2',7'-dimethyl-2-[(Z)-quinolin-2-ylmethylideneamino]spiro[isoindole-3,9'-xanthene]-1-one 、 mercury(II) iodide 以 甲醇 、 氯仿 为溶剂， 生成 3',6'-bis(ethylamino)-2',7'-dimethyl-2-[(E)-quinolin-2-ylmethylideneamino]spiro[isoindole-3,9'-xanthene]-1-one;mercury(2+);diiodide
  参考文献：
  名称：

  Recognition of Hg²⁺ and Cr³⁺ in Physiological Conditions by a Rhodamine Derivative and Its Application as a Reagent for Cell-Imaging Studies

  摘要：

  A new rhodamine-based receptor, derivatized with an additional fluorophore (quinoline), was synthesized for selective recognition of Hg2+ and Cr3+ in an acetonitrile/HEPES buffer medium of pH 7.3. This reagent could be used as a dual probe and allowed detection of these two ions by monitoring changes in absorption and the fluorescence spectral pattern. In both instances, the extent of the changes was significant enough to allow visual detection. More importantly, the receptor molecule could be used as an imaging reagent for detection of Hg2+ and Cr3+ uptake in live human cancer cells (MCF7) using laser confocal microscopic studies. Unlike Hg(ClO4)(2) or Hg(NO3)(2) salts, HgCl2 or Hgl(2) failed to induce any visually detectable change in color or fluorescence upon interaction with L-1 under identical experimental conditions. Presumably, the higher covalent nature of Hg-II in HgCl2 or HgI2 accounts for its lower acidity and its inability to open up the spirolactam ring of the reagent L-1. The issue has been addressed on the basis of the single-crystal X-ray structures of L-1 center dot HgX2 (X- = Cl- or I-) and results from other spectral studies.

  DOI：

  10.1021/ic2017243