[(2,6-(i-Pr)2C6H3N=CMe)2C5H3N)Fe(2,6-Et2C6H3N)] | 887281-08-5

• 英文名称: [(2,6-(i-Pr)2C6H3N=CMe)2C5H3N)Fe(2,6-Et2C6H3N)]
• CAS: 887281-08-5
• 化学式: C₄₃H₅₆FeN₄
• 分子量: 684.791
• InChiKey: RPRIWIKNBUSGQH-DGOWAXEKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  [(2,6-(i-Pr)2C6H3N=CMe)2C5H3N)Fe(2,6-Et2C6H3N)] 以 氘代苯 为溶剂， 生成 (iPrPDI)Fe(N2)2
  参考文献：
  名称：

  Synthesis and Hydrogenation of Bis(imino)pyridine Iron Imides

  摘要：

  Treatment of the iron bis(dinitrogen) complex, (iPrPDI)Fe(N2)2 (iPrPDI = (2,6-iPr2C6H3N=CMe)2C5H3N), with a series of aryl azides resulted in loss of 3 equiv of N2 and formation of the corresponding four-coordinate iron imide compounds, (iPrPDI)Fe(NAr). These complexes, two of which (Ar = 2,6-iPr2-C6H3 and 2,4,6-Me3-C6H2) have been characterized by X-ray diffraction, are significantly distorted from planarity. The metrical parameters in combination with Mössbauer spectroscopic and SQUID magnetic data suggest an intermediate spin iron(III) center antiferromagnetically coupled to a ligand-centered radical. Nitrene group transfer has been accomplished by addition of 1 atm of CO, yielding aryl isocyanates, ArNCO, and (iPrPDI)Fe(CO)2. Hydrogenation of the more sterically hindered members of the series furnished free aniline and the previously reported iron dihydrogen complex. Catalytic aryl azide hydrogenation has also been achieved, and the observed relative rates are consistent with N-H bond formation as the rate-determining step in aniline formation.

  DOI：

  10.1021/ja057165y
• 作为产物：
  描述：

  (iPrPDI)Fe(N2)2 、 2,6-diethylphenyl azide 以 not given 为溶剂， 生成 [(2,6-(i-Pr)2C6H3N=CMe)2C5H3N)Fe(2,6-Et2C6H3N)]
  参考文献：
  名称：

  Synthesis and Hydrogenation of Bis(imino)pyridine Iron Imides

  摘要：

  Treatment of the iron bis(dinitrogen) complex, (iPrPDI)Fe(N2)2 (iPrPDI = (2,6-iPr2C6H3N=CMe)2C5H3N), with a series of aryl azides resulted in loss of 3 equiv of N2 and formation of the corresponding four-coordinate iron imide compounds, (iPrPDI)Fe(NAr). These complexes, two of which (Ar = 2,6-iPr2-C6H3 and 2,4,6-Me3-C6H2) have been characterized by X-ray diffraction, are significantly distorted from planarity. The metrical parameters in combination with Mössbauer spectroscopic and SQUID magnetic data suggest an intermediate spin iron(III) center antiferromagnetically coupled to a ligand-centered radical. Nitrene group transfer has been accomplished by addition of 1 atm of CO, yielding aryl isocyanates, ArNCO, and (iPrPDI)Fe(CO)2. Hydrogenation of the more sterically hindered members of the series furnished free aniline and the previously reported iron dihydrogen complex. Catalytic aryl azide hydrogenation has also been achieved, and the observed relative rates are consistent with N-H bond formation as the rate-determining step in aniline formation.

  DOI：

  10.1021/ja057165y