[Co2(μ-trimetylacetate)2(μ-H2O)(μ-3,5-dimethylpyrazole(-1H))2(3,5-dimethylpyrazole)2] | 950581-07-4

• 英文名称: [Co2(μ-trimetylacetate)2(μ-H2O)(μ-3,5-dimethylpyrazole(-1H))2(3,5-dimethylpyrazole)2]
• 英文别名: Co2(μ-OH2)(3,5-dimethylpyrazole)2(μ-3,5-dimethylpyrazolate)2(OOC(t-Bu))4；[Co2(μ-pivalate)2(μ-H2O)(μ-dmpz)2(Hdmpz)2]；Co2(μ-OH2)(μ-dmpz)2(Hdmpz)2(OOC(t-Bu))4
• CAS: 950581-07-4
• 化学式: C₄₀H₆₈Co₂N₈O₉
• 分子量: 923.015
• InChiKey: VCIPPYBHLUSUKK-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  [Co2(μ-trimetylacetate)2(μ-H2O)(μ-3,5-dimethylpyrazole(-1H))2(3,5-dimethylpyrazole)2] 、 三甲基乙酸 以 苯 为溶剂， 生成 Co2(μ-OH2)(3,5-dimethylpyrazole)2(μ-3,5-dimethylpyrazole(-1H))2(OOC(t-Bu))4*2(pivalic acid)
  参考文献：
  名称：

  Transformations of cobalt trimethylacetate complexes with pyrazole upon oxidation by air in THF

  摘要：

  Synthetic routes to oxidation of cobalt atoms in cobalt trimethylacetate complexes containing coordinated pyrazole molecules have been considered.

  DOI：

  10.1134/s0036023606090063
• 作为产物：
  描述：

  bis(3,5-dimethylpyrazole)bis(trimethylacetato)bis(μ-N,N'-3,5-dimethylpyrazolato)dicobalt(II) 、 三甲基乙酸 在 air 作用下， 以 四氢呋喃 为溶剂， 以35%的产率得到[Co2(μ-trimetylacetate)2(μ-H2O)(μ-3,5-dimethylpyrazole(-1H))2(3,5-dimethylpyrazole)2]
  参考文献：
  名称：

  Transformations of cobalt trimethylacetate complexes with pyrazole upon oxidation by air in THF

  摘要：

  Synthetic routes to oxidation of cobalt atoms in cobalt trimethylacetate complexes containing coordinated pyrazole molecules have been considered.

  DOI：

  10.1134/s0036023606090063

文献信息

• Binuclear transition-metal trimethylacetato complexes containing coordinated 3,5-dimethylpyrazole as structural analogues of the active site of natural metalloenzymes
  作者：S. E. Nefedov

  DOI：10.1134/s0036023606130031

  日期：2006.1

  Synthetic approaches are discussed to prepare binuclear trimethylacetato complexes of zinc, copper, cobalt, and nickel containing an M-2(mu-OOCR)(2)L-4 binuclear fragment, which is found in the active site of natural metalloenzymes.