| 1351693-36-1

• CAS: 1351693-36-1
• 化学式: CF₃O₃S*C₁₇H₂₁CuF₃N₃O₃S₂
• 分子量: 649.116
• InChiKey: QVQITURRURZELU-UHFFFAOYSA-L

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

• 作为产物：
  描述：

  N-methyl-2-(2-pyridin-2-ylethylsulfanyl)-N-(pyridin-2-ylmethyl)ethanamine 、 copper(II) bis(trifluoromethanesulfonate) 以 四氢呋喃 为溶剂， 以75%的产率得到
  参考文献：
  名称：

  Bis- and tris-pyridyl amino and imino thioether Cu and Fe complexes. Thermal and microwave-assisted peroxidative oxidations of 1-phenylethanol and cyclohexane in the presence of various N-based additives

  摘要：

  The new [Cu(OTf)(L)](OTf) 1, [Cu(L)(H2O)](OTf)(2) 1', [Cu(OTf)(L-Me)](OTf) 2 and [Cu(L-py)](OTf)(2) 4, and [Fe(OTf)(2)(L-Me)] 3 and [Fe(OTf)(L-py)](OTf) 5 complexes, bearing bis- and tris-pyridyl amino and imino thioether ligands, have been synthesized and fully characterized by IR, ESI+-MS and elemental analyses, and also by X-ray diffraction structural analyses (for 1, 1', 2 and 4). In the presence of various N-based additives, they show a very good catalytic activity for the solvent- and halogen-free microwave-assisted oxidation of 1-phenylethanol by t-BuOOH (model reaction). The combination of pyridazine with the Cu complex 2 provided the most efficient catalytic system, resulting in a maximum yield of acetophenone of 99% after 30 min at 80 degrees C. The maximum turnover frequency (TOF) of 5220 h(-1) (corresponding to 87% yield) was achieved just after 5 min of reaction time under the very low microwave power of 10W. The catalytic properties of those complexes were also evaluated for the mild oxidation of cyclohexane, to cyclohexanol and cyclohexanone, in acetonitrile with H2O2, leading to yields up to 29% (based on the alkane substrate) that are comparable to the best reported Fe and Cu catalytic systems. The effects of various factors, such as nature and amount of the additives and metal centres (Cu or Fe), temperature, time and type of peroxide used, were also investigated. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcata.2011.09.022
• 作为试剂：
  描述：

  环己烷 在 哒嗪 、 、 双氧水 、 三苯基膦 作用下， 以 水 、 乙腈 为溶剂， 反应 6.0h， 生成 环己酮 、 环己醇
  参考文献：
  名称：

  Bis- and tris-pyridyl amino and imino thioether Cu and Fe complexes. Thermal and microwave-assisted peroxidative oxidations of 1-phenylethanol and cyclohexane in the presence of various N-based additives

  摘要：

  The new [Cu(OTf)(L)](OTf) 1, [Cu(L)(H2O)](OTf)(2) 1', [Cu(OTf)(L-Me)](OTf) 2 and [Cu(L-py)](OTf)(2) 4, and [Fe(OTf)(2)(L-Me)] 3 and [Fe(OTf)(L-py)](OTf) 5 complexes, bearing bis- and tris-pyridyl amino and imino thioether ligands, have been synthesized and fully characterized by IR, ESI+-MS and elemental analyses, and also by X-ray diffraction structural analyses (for 1, 1', 2 and 4). In the presence of various N-based additives, they show a very good catalytic activity for the solvent- and halogen-free microwave-assisted oxidation of 1-phenylethanol by t-BuOOH (model reaction). The combination of pyridazine with the Cu complex 2 provided the most efficient catalytic system, resulting in a maximum yield of acetophenone of 99% after 30 min at 80 degrees C. The maximum turnover frequency (TOF) of 5220 h(-1) (corresponding to 87% yield) was achieved just after 5 min of reaction time under the very low microwave power of 10W. The catalytic properties of those complexes were also evaluated for the mild oxidation of cyclohexane, to cyclohexanol and cyclohexanone, in acetonitrile with H2O2, leading to yields up to 29% (based on the alkane substrate) that are comparable to the best reported Fe and Cu catalytic systems. The effects of various factors, such as nature and amount of the additives and metal centres (Cu or Fe), temperature, time and type of peroxide used, were also investigated. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcata.2011.09.022