[Li(DME)][Fe(N=CtBu2)4] | 1246261-81-3

• 分子结构分类: 有机化合物
• 英文名称: [Li(DME)][Fe(N=CtBu2)4]
• 英文别名: lithium;1,2-dimethoxyethane;iron(3+);2,2,4,4-tetramethylpentan-3-ylideneazanide
• CAS: 1246261-81-3
• 化学式: C₄₀H₈₂FeLiN₄O₂
• 分子量: 713.905
• InChiKey: MGMDMNHMHFHNMO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.64
• 重原子数：
  48
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  22.5
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  [Li(DME)][Fe(N=CtBu2)4] 在 I₂ 作用下， 以 not given 为溶剂， 生成 [Fe(NC^tBu₂)₄]
  参考文献：
  名称：

  Synthesis and Characterization of an Iron(IV) Ketimide Complex

  摘要：

  Addition of 4 equiv of LiN=C(t)u(2) to FeCl(2) in Et(2)O/THF results in the formation of [Li(THF)](2)[Fe(N-C(t)u(2))(4)] (1). Oxidation of 1 with 0.5 equiv of I(2) in Et(2)O/DME yields [Li(DME)][Fe(N=CSu(2))(4)] (2) in moderate yield. Both 1 and 2 are high spin and exhibit tetrahedral geometries in the solid state. Oxidation of 1 with 1 equiv of I(2) in Et(2)O yields Fe(N-C(t)u(2))(4) (3) in good yield. Surprisingly, complex 3 exhibits a diamagnetic ground state and a nearly square planar geometry about the Fe center.

  DOI：

  10.1021/ja104934n
• 作为产物：
  描述：

  乙二醇二甲醚 、 [Li(THF)]2[Fe(N=C(t)Bu2)4] 在 I₂ 作用下， 以 乙二醇二甲醚 、 乙醚 、 正戊烷 为溶剂， 以56%的产率得到[Li(DME)][Fe(N=CtBu2)4]
  参考文献：
  名称：

  Synthesis and Characterization of an Iron(IV) Ketimide Complex

  摘要：

  Addition of 4 equiv of LiN=C(t)u(2) to FeCl(2) in Et(2)O/THF results in the formation of [Li(THF)](2)[Fe(N-C(t)u(2))(4)] (1). Oxidation of 1 with 0.5 equiv of I(2) in Et(2)O/DME yields [Li(DME)][Fe(N=CSu(2))(4)] (2) in moderate yield. Both 1 and 2 are high spin and exhibit tetrahedral geometries in the solid state. Oxidation of 1 with 1 equiv of I(2) in Et(2)O yields Fe(N-C(t)u(2))(4) (3) in good yield. Surprisingly, complex 3 exhibits a diamagnetic ground state and a nearly square planar geometry about the Fe center.

  DOI：

  10.1021/ja104934n

文献信息

• Reactivity and Mössbauer Spectroscopic Characterization of an Fe(IV) Ketimide Complex and Reinvestigation of an Fe(IV) Norbornyl Complex
  作者：Richard A. Lewis、Danil E. Smiles、Jonathan M. Darmon、S. Chantal E. Stieber、Guang Wu、Trevor W. Hayton

  DOI：10.1021/ic401096p

  日期：2013.7.15

  Thermolysis of Fe(N=(CBu2)-Bu-t)(4) (1) for 8 h at 50 degrees C generates the mixed valent Fe(III)/Fe(II) bimetallic complex Fe-2(N=(CBu2)-Bu-t)(5) (2) in moderate yield. Also formed in this reaction are tert-butyl cyanide, isobutane, and isobutylene, the products of ketimide oxidation by the Fe4+ center. Reaction of 1 with 1 equiv of acetylacetone affords the Fe(III) complex, Fe(N=(CBu2)-Bu-t)(2)(acac) (3), concomitant with formation of bis(tert-butyl)ketimine, tert-butyl cyanide, isobutane, and isobutylene. In addition, the Mossbauer spectra of 1 and its lower-valent analogues [Li(12-crown-4)(2)][Fe(N=(CBu2)-Bu-t)(4)] (5) and [Li(THF)](2)[Fe(N=(CBu2)-Bu-t)(4)] (6) were recorded. We also revisited the chemistry of Fe(1-norbornyl)(4) (4) to elucidate its solid-state molecular structure and determine its Mossbauer spectrum, for comparison with that recorded for 1.