| 518061-52-4

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• CAS: 518061-52-4
• 化学式: C₂₂H₄₆FeN₄Si₄
• 分子量: 534.823
• InChiKey: CWKGVMBVJRYJEA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  以 neat (no solvent, solid phase) 为溶剂， 以80%的产率得到[iron(II)(bis(trimethylsilyl)amido)₂(pyridine)]
  参考文献：
  名称：

  Reactions of M{N(SiMe3)2}2 (M=Mn, Fe or Co) with pyridine and 4,4′-bipyridyl: structural and magnetic studies

  摘要：

  The reactions of the aromatic nitrogen donor ligands pyridine (py) and 4,4'-bipyridyl (4,4-bipy) with the transition metal silylamides M{N(SiMe3)(2)}(2) (M = Mn, Fe or Cc) were investigated. Treatment of the metal amides with pyridine afforded the bispyridine complexes M{N(SiMe3)(2)}(py)(2) (M = Mn, 1a; Fe, 2a; Co, 3a). Distillation or sublimation of 2a or 3a afforded the monopyridine complexes M{N(SiMe3)(2)}(2)(py) (M = Fe, 2b; Co, 3b). The addition of pyrazine (prz) to Mn{N(SiMe3)(2)}(2) also yielded the bispyrazine adduct Mn{N(SiMe3)(2)}(2)(prz)(2), 1b. However, the reaction of 4,4'-bipyridyl with Fe{N(SiMe3)(2)}(2) or Co{N(SiMe3)(2)}(2) afforded the polymeric chain-like complexes {M{N(SiMe3)(2)}(2)(4,4'-bipy)}(infinity) (M = Fe, 4; Co, 5). With the exception of 2b, all complexes were characterized by X-ray crystallography. The complexes la, 1b, 2a and 3a displayed monomeric structures and metal geometries that are based on a tetrahedron with interligand angles that deviate markedly from idealized values. Complex 3b was found to have a distorted trigonal planar geometry. In contrast, complexes 4 and 5 displayed polymeric zig-zag chain structures which have four coordinate metal centers connected by 4,4'-bipyridyl ligands. Magnetic studies indicated that complexes 1-3b have high-spin electron configurations and that the paramagnetic centers in 4 and 5 did not interact with each other through the 4,4'-bipyridyl ligands. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(02)01264-0
• 作为产物：
  描述：

  吡啶 、 iron(II) bis(trimethylsilyl)amide 以 正己烷 为溶剂， 生成
  参考文献：
  名称：

  Reactions of M{N(SiMe3)2}2 (M=Mn, Fe or Co) with pyridine and 4,4′-bipyridyl: structural and magnetic studies

  摘要：

  The reactions of the aromatic nitrogen donor ligands pyridine (py) and 4,4'-bipyridyl (4,4-bipy) with the transition metal silylamides M{N(SiMe3)(2)}(2) (M = Mn, Fe or Cc) were investigated. Treatment of the metal amides with pyridine afforded the bispyridine complexes M{N(SiMe3)(2)}(py)(2) (M = Mn, 1a; Fe, 2a; Co, 3a). Distillation or sublimation of 2a or 3a afforded the monopyridine complexes M{N(SiMe3)(2)}(2)(py) (M = Fe, 2b; Co, 3b). The addition of pyrazine (prz) to Mn{N(SiMe3)(2)}(2) also yielded the bispyrazine adduct Mn{N(SiMe3)(2)}(2)(prz)(2), 1b. However, the reaction of 4,4'-bipyridyl with Fe{N(SiMe3)(2)}(2) or Co{N(SiMe3)(2)}(2) afforded the polymeric chain-like complexes {M{N(SiMe3)(2)}(2)(4,4'-bipy)}(infinity) (M = Fe, 4; Co, 5). With the exception of 2b, all complexes were characterized by X-ray crystallography. The complexes la, 1b, 2a and 3a displayed monomeric structures and metal geometries that are based on a tetrahedron with interligand angles that deviate markedly from idealized values. Complex 3b was found to have a distorted trigonal planar geometry. In contrast, complexes 4 and 5 displayed polymeric zig-zag chain structures which have four coordinate metal centers connected by 4,4'-bipyridyl ligands. Magnetic studies indicated that complexes 1-3b have high-spin electron configurations and that the paramagnetic centers in 4 and 5 did not interact with each other through the 4,4'-bipyridyl ligands. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(02)01264-0

文献信息

• Facilitating the Ferration of Aromatic Substrates through Intramolecular Sodium Mediation
  作者：Lewis C. H. Maddock、Manting Mu、Alan R. Kennedy、Max García‐Melchor、Eva Hevia

  DOI：10.1002/anie.202104275

  日期：2021.7.5

  effects between Na and FeII centres present in tris(amide) ferrate complexes has led to the chemoselective ferration of pentafluorobenzene, benzene, toluene, anisole, and pyridine being realised at room temperature. The importance of this bimetallic partnership is demonstrated by neither the relevant sodium amide (NaHMDS or NaTMP) nor the FeII amide Fe(HMDS)2 efficiently metallating these substrates

  利用三(酰胺)高铁酸盐配合物中Na和Fe II中心之间的协同效应，在室温下实现了五氟苯、苯、甲苯、苯甲醚和吡啶的化学选择性铁化反应。在本研究的条件下，相关的氨基钠（NaHMDS 或 NaTMP）和 Fe II酰胺 Fe(HMDS) 2均未有效金属化这些基材，从而证明了这种双金属伙伴关系的重要性。通过将 NMR 研究与关键中间体的分离和 DFT 计算相结合，我们提供了这些反应如何发生的可能机制，揭示了金属以同步方式合作的令人惊讶的反应途径。虽然分离的产物在形式上是Fe-H交换的结果，但理论计算表明芳香族底物经历Na-H交换，然后快速分子内金属转移成Fe，从而稳定新生成的芳基片段。