(CP^iPr3)FeCl | 1534355-97-9

• 英文名称: (CP^iPr3)FeCl
• CAS: 1534355-97-9
• 化学式: C₃₇H₅₄ClFeP₃
• 分子量: 683.057
• InChiKey: HTWJSWRZJQMKRD-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：
  None

反应信息

• 作为反应物：
  描述：

  (CP^iPr3)FeCl 、 氮气 在 sodium 作用下， 以 四氢呋喃 为溶剂， 反应 0.33h， 以48%的产率得到
  参考文献：
  名称：

  Catalytic Reduction of N₂ to NH₃ by an Fe–N₂ Complex Featuring a C-Atom Anchor

  摘要：

  While recent spectroscopic studies have established the presence of an interstitial carbon atom at the center of the iron-molybdenum cofactor (FeMoco) of MoFe-nitrogenase, its role is unknown. We have pursued Fe-N-2 model chemistry to explore a hypothesis whereby this C-atom (previously denoted as a light X-atom) may provide a flexible trans interaction with an Fe center to expose an Fe-N-2 binding site. In this context, we now report on Fe complexes of a new tris(phosphino)alkyl (CP3iPr3) ligand featuring an axial carbon donor. It is established that the iron center in this scaffold binds dinitrogen trans to the C-alkyl-atom anchor in three distinct and structurally characterized oxidation states. Fe-C-alkyl lengthening is observed upon reduction, reflective of significant ionic character in the Fe-C-alkyl interaction. The anionic (CP3iPr3)FeN2- species can be functionalized by a silyl electrophile to generate (CP3iPr3)Fe-N2SiR3. (CP3iPr3)FeN2- also functions as a modest catalyst for the reduction of N-2 to NH3 when supplied with electrons and protons at -78 degrees C under 1 atm N-2 (4.6 equiv NH3/Fe).

  DOI：

  10.1021/ja4114962
• 作为产物：
  描述：

  [(2-iodophenyl)methylene]dibenzene 在 sodium amalgam 、 四丁基溴化铵 、 叔丁基锂 、 sodium 、 间氯过氧苯甲酸 、 copper(I) bromide 作用下， 以 乙醚 、 二氯甲烷 、 二甲基亚砜 、 甲苯 、 乙腈 、 苯 为溶剂， 反应 134.73h， 生成 (CP^iPr3)FeCl
  参考文献：
  名称：

  Catalytic Reduction of N₂ to NH₃ by an Fe–N₂ Complex Featuring a C-Atom Anchor

  摘要：

  While recent spectroscopic studies have established the presence of an interstitial carbon atom at the center of the iron-molybdenum cofactor (FeMoco) of MoFe-nitrogenase, its role is unknown. We have pursued Fe-N-2 model chemistry to explore a hypothesis whereby this C-atom (previously denoted as a light X-atom) may provide a flexible trans interaction with an Fe center to expose an Fe-N-2 binding site. In this context, we now report on Fe complexes of a new tris(phosphino)alkyl (CP3iPr3) ligand featuring an axial carbon donor. It is established that the iron center in this scaffold binds dinitrogen trans to the C-alkyl-atom anchor in three distinct and structurally characterized oxidation states. Fe-C-alkyl lengthening is observed upon reduction, reflective of significant ionic character in the Fe-C-alkyl interaction. The anionic (CP3iPr3)FeN2- species can be functionalized by a silyl electrophile to generate (CP3iPr3)Fe-N2SiR3. (CP3iPr3)FeN2- also functions as a modest catalyst for the reduction of N-2 to NH3 when supplied with electrons and protons at -78 degrees C under 1 atm N-2 (4.6 equiv NH3/Fe).

  DOI：

  10.1021/ja4114962