tetrakis(5-t-butylpyrazole)iron(II) bis(trifluoromethanesulfonate) | 228722-07-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: tetrakis(5-t-butylpyrazole)iron(II) bis(trifluoromethanesulfonate)
• 英文别名: 5-tert-butyl-1H-pyrazole;iron(2+);trifluoromethanesulfonate
• CAS: 228722-07-4
• 化学式: C₃₀H₄₈F₆FeN₈O₆S₂
• 分子量: 850.731
• InChiKey: QUXVHNKWJUGACI-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  6.93
• 重原子数：
  53
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  246
• 氢给体数：
  4
• 氢受体数：
  16

反应信息

• 作为产物：
  描述：

  dichlorotetrakis(5-tert-butylpyrazole)iron 、 silver trifluoromethanesulfonate 以 四氢呋喃 为溶剂， 以33%的产率得到tetrakis(5-t-butylpyrazole)iron(II) bis(trifluoromethanesulfonate)
  参考文献：
  名称：

  Syntheses and characterization of tetrakis(5-tert-butylpyrazole) Fe(II) and Mn(II) complexes. Molecular structure of Fe(Pzt-Bu)4(OTF)2

  摘要：

  Dichlorotetrakis(5-t-butylpyrazole)iron (1), dichlorotetrakis(5-t-butylpyrazole) manganese (2), and tetrakis(5-t-butylpyrazole) iron(II) bis(trifluoromethanesulfonate) (3) were prepared and characterized. The crystal structure of 3 was determined from X-ray diffraction data. Complex 3 has a distorted octahedral structure with the two triflate ligands at mutually trans positions. Complexes 1 and 2 are mild catalysts for the selective epoxidation of styrene and norbornylene. In comparison, complex 3 is an efficient catalyst for the epoxidation of norbornylene, but promotes the oxidation of styrene predominantly to benzaldehyde. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(98)00363-5