[μ2-η(3)-(4-CF3C6H4)N-CH2-C=C-C(H)=C(H)=C(H)]Fe2(CO)6 | 244034-97-7

• 英文名称: [μ2-η(3)-(4-CF3C6H4)N-CH2-C=C-C(H)=C(H)=C(H)]Fe2(CO)6
• CAS: 244034-97-7
• 化学式: C₂₀H₁₀F₃Fe₂NO₆
• 分子量: 528.992
• InChiKey: DAFTWPNIRJQSIK-UHFFFAOYSA-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

• 作为产物：
  描述：

  diiron nonacarbonyl 、 (E)-1-phenyl-N-(4-(trifluoromethyl)phenyl)methanimine 以 正庚烷 为溶剂， 以24%的产率得到[μ2-η(3)-(4-CF3C6H4)N-CH2-C=C-C(H)=C(H)=C(H)]Fe2(CO)6
  参考文献：
  名称：

  Mechanistical studies on C–H activation reactions of benzaldimines using selectively deuterated ligands: synthesis and crystal structures of [μ2-η3-(R)N–CH2–(H)]Fe2(CO)6

  摘要：

  The reaction of Fe-2(CO)(9) with imine ligands derived from benzaldehyde leads to the formation of dinuclear iron cluster compounds of the general formula [mu 2-eta 3-N-CH2-C=C-C(H)=C(H)-C(H)]Fe-2(CO)(6) by a C-H activation/1,3-hydrogen shift reaction sequence. Six cluster compounds with alkyl and aryl substituents bound to nitrogen have been synthesised and characterised, five of them also by means of X-ray crystallography. The mechanism of the reaction has been investigated by the use of ligands being selectively deuterated in the 2-position. By several NMR experiments including deuterium spectra it can be demonstrated that the hydrogen/deuterium atom of the activated aromatic C-H bond is transferred to the former imine carbon atom producing a methylene group instead and that this reaction strictly follows an intramolecular pathway. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(99)00082-0