[([2-P(CHMe2)2-4-MeC6H3]2N)Re(CO)3][OTf] | 1189398-40-0

• 英文名称: [([2-P(CHMe2)2-4-MeC6H3]2N)Re(CO)3][OTf]
• CAS: 1189398-40-0
• 化学式: CF₃O₃S*C₂₉H₄₀NO₃P₂Re
• 分子量: 847.866
• InChiKey: YCRRHUXWJWFDCJ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：
  None
• 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-P(CHMe2)2-4-MeC6H3]2N)Re(CO)3][OTf] 、 烯丙基三丁基锡 以 二氯甲烷 为溶剂， 以41%的产率得到
  参考文献：
  名称：

  Ligand Reactivity in Diarylamido/Bis(Phosphine) PNP Complexes of Mn(CO)₃ and Re(CO)₃

  摘要：

  The syntheses of meridionally ligated tricarbonyl complexes (PNP)Mn(CO)(3) and (PNP)Re(CO)(3) are described (PNP=[2-P(CHMe2)(2)-4-MeC6H3](2)N-). Cyclic voltammograms show reversible one-electron redox couples for both parent compounds (-0.34 V vs CP(2)Feo(0/+) for (PNP)Mn(CO)(3), -0.25 V vs CP2Fe0/+ for (PNP)Re(CO)(3)), and chemical oxidation with AgOTf results in formation of the corresponding paramagnetic triflate salts [(PNP)Mn(CO)(3)]OTf and [(PNP)Re(CO)(3)]OTf. Electron paramagnetic resonance spectra and computational results indicate that this event is primarily ligand centered; allylation of the organic ligand moiety of [(PNP)Mn(CO)(3)]OTf with allyltributylstannane is consistent with this assignment. The oxidation (PNP)Mn(CO)(3) to [(PNP)Mn(CO)(3)]OTf results in a shift in average CO stretching frequency of 30 cm(-1); protonation of (PNP)Mn(CO)(3) with TfOH to form [(PNHP)Mn(CO)(3)]OTf results in a similar magnitude shift.

  DOI：

  10.1021/ic9010218
• 作为产物：
  描述：

  (^MePNP^iPr)Re(CO)₃ 、 silver trifluoromethanesulfonate 以 二氯甲烷 为溶剂， 以86%的产率得到[([2-P(CHMe2)2-4-MeC6H3]2N)Re(CO)3][OTf]
  参考文献：
  名称：

  Ligand Reactivity in Diarylamido/Bis(Phosphine) PNP Complexes of Mn(CO)₃ and Re(CO)₃

  摘要：

  The syntheses of meridionally ligated tricarbonyl complexes (PNP)Mn(CO)(3) and (PNP)Re(CO)(3) are described (PNP=[2-P(CHMe2)(2)-4-MeC6H3](2)N-). Cyclic voltammograms show reversible one-electron redox couples for both parent compounds (-0.34 V vs CP(2)Feo(0/+) for (PNP)Mn(CO)(3), -0.25 V vs CP2Fe0/+ for (PNP)Re(CO)(3)), and chemical oxidation with AgOTf results in formation of the corresponding paramagnetic triflate salts [(PNP)Mn(CO)(3)]OTf and [(PNP)Re(CO)(3)]OTf. Electron paramagnetic resonance spectra and computational results indicate that this event is primarily ligand centered; allylation of the organic ligand moiety of [(PNP)Mn(CO)(3)]OTf with allyltributylstannane is consistent with this assignment. The oxidation (PNP)Mn(CO)(3) to [(PNP)Mn(CO)(3)]OTf results in a shift in average CO stretching frequency of 30 cm(-1); protonation of (PNP)Mn(CO)(3) with TfOH to form [(PNHP)Mn(CO)(3)]OTf results in a similar magnitude shift.

  DOI：

  10.1021/ic9010218