| 1534355-94-6

• CAS: 1534355-94-6
• 化学式: C₃₇H₅₅BrFeP₃
• 分子量: 728.516
• InChiKey: SIVCTRDDEBKIPI-UHFFFAOYSA-M

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

• 作为产物：
  描述：

  [(2-iodophenyl)methylene]dibenzene 在 四丁基溴化铵 、 叔丁基锂 、 异丙基氯化镁 、 间氯过氧苯甲酸 、 copper(I) bromide 作用下， 以 乙醚 、 二氯甲烷 、 甲苯 、 乙腈 为溶剂， 反应 128.23h， 生成
  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