bis(thiomaltolato)lead(II) | 52701-28-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: bis(thiomaltolato)lead(II)
• 英文别名: lead(2+);2-methyl-4-sulfanylidenepyran-3-olate
• CAS: 52701-28-7
• 化学式: C₁₂H₁₀O₄PbS₂
• 分子量: 489.541
• InChiKey: SZQYLYPSTFHMTB-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  19
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  129
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3-hydroxy-2-methylpyran-4(1H)-thione 、 lead acetate 以 甲醇 、 水 为溶剂， 生成 bis(thiomaltolato)lead(II)
  参考文献：
  名称：

  Addressing Lead Toxicity:  Complexation of Lead(II) with Thiopyrone and Hydroxypyridinethione O,S Mixed Chelators

  摘要：

  The lead(II) ion is regarded as a serious environmental contaminant. A considerable need exists to develop selective ligands for remediation of this metal ion. Herein, the coordination chemistry of lead(II) is investigated with three O,S donor ligands: thiomaltol, 3-hydroxy-1-methyl-2(1H)-pyridinethione (3,2-HOPTO), and 3-hydroxy-1,2-dimethyl-4(1H)-pyridinethione (3,4-HOPTO), The X-ray structures of [Pb(thiomaltolato)(2)] and [Pb(3,4-HOPTO)(2)] have been solved, revealing the expected 4-coordinate geometries. Electronic spectra have been obtained for the lead(II) complexes with all three ligands. Preliminary solution studies show that the thiomaltol ligand binds lead(II) preferentially over magnesium(II) and calcium(II); however, [Pb(thiomaltolato)(2)] is not stable in the presence of 1 equiv of EDTA. Tetradentate ligands derived from these O,S chelators are expected to generate higher affinity ligands for lead(II) sequestration.

  DOI：

  10.1021/ic0493696