mono(oxovanadium(IV)) mono(2-methyl-4-oxo-4H-pyran-3-olate) | 307493-34-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡喃
• 英文名称: mono(oxovanadium(IV)) mono(2-methyl-4-oxo-4H-pyran-3-olate)
• CAS: 307493-34-1
• 化学式: C₆H₅O₃*OV
• 分子量: 192.045
• InChiKey: YSFZMILJVZIYCH-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  11.0
• 可旋转键数：
  0.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  70.34
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  麦芽醇 、 氧化钒(IV) 以 not given 为溶剂， 生成 mono(oxovanadium(IV)) mono(2-methyl-4-oxo-4H-pyran-3-olate)
  参考文献：
  名称：

  Kinetics of ligand substitution reactions in the oxovanadium(IV)–maltol system

  摘要：

  The kinetics of the complex formation between oxovanadium(IV) and maltol was studied by the stopped-flow method at 25 degreesC in 0.2 M KCl The formation of the bis-complex is about an order of magnitude faster than that of the mono-complex under the same conditions. The results confirm that parallel paths are operative in these reactions via the acid (HA) and base (A(-)) forms of the ligand. The relevant rate constants were determined and mechanistic implications of the results are also discussed. It is concluded that the oxovanadium(IV) ion can easily form the thermodynamically most favorable complexes in ligand rich environments such as biological liquids. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(02)01094-0