1',3'-C5H4[(C5H5-5-exo-η4)Fe(CO)2(PPh3)]2 | 333316-30-6

• 英文名称: 1',3'-C5H4[(C5H5-5-exo-η4)Fe(CO)2(PPh3)]2
• CAS: 333316-30-6
• 化学式: C₅₅H₄₄Fe₂O₄P₂
• 分子量: 942.593
• InChiKey: UZALVXBWYHHYRY-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

• 作为反应物：
  描述：

  1',4'-C5H4[(C5H5-5-exo-η4)Fe(CO)2(PPh3)]2 、 1',3'-C5H4[(C5H5-5-exo-η4)Fe(CO)2(PPh3)]2 、 三氯化铁 在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 以17%的产率得到Fe[μ-η5-1,3-((C5H5-5'-exo-η4)Fe(CO)2(PPh3))2]2
  参考文献：
  名称：

  (η5-C5H5)-Ring alkylation reaction with the C5H5 anion: towards the construction of tri-Fe complex Fe{[μ,η5:η4-5-exo-(1′-C5H4)C5H5]Fe(CO)2(PPh3)}2

  摘要：

  The reaction of (eta (5)-C5H5)Fe(CO)(2)I with C5H5M (M = Na, Li) in the presence of PPh3 gives the Cp-ring alkylation eta (4)-Fe products 10a,b. The compounds 10a,b could be deprotonated with n-BuLi to generate 12. When 12 reacts with FeCl3, the reaction produces the tri-Fe complex 6, Fe{[mu,eta (5):eta (4)-5-exo-(1'-C5H4)C5H5]Fe(CO)(2)(PPh3)}(2), whose hydride abstraction with Ph3CPF6 results in 13, [Fe [mu,eta (5):eta (5)-1-(1'-C5H4)C5H4]Fe(CO)(2)(PPh3)}(2)][PF6](2). A similar strategy was applied in the preparation of penta-Fe complex 15, Fe[mu-eta (5)-C5H3-1,3-{(C5H5-5'-exo-,eta (4))Fe(CO)(2)(PPh3)}(2)](2), which has four eta (4)-Fe arms attached to a ferrocene core. The compound 12, upon treatment with the W(CO)(3)(EtCN)(3) then MeI sequence, gives the dimetallic eta (4)-Fe, eta (5)-W complex 17. The endo-hydride of 17 could be abstracted with Ph3CPF6 to result in 18 whose reaction with C5H5Na proceeds smoothly with the Cp-ring alkylation and gives eta (4)-Fe products 19a,b. Treatment of 19a,b with n-BuLi, followed by the W(CO)(3)(EtCN)(3) then Mel sequence yields the trimetallic eta (5)-W, eta (4)-Fe, eta (5)-W complex 20. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(01)00957-3
• 作为产物：
  描述：

  πcyclopentadienyl dicarbonyl (triphenyl phosphine) iron iodide 、 [η4-5-exo-(2-C5H5)C5H5]Fe(CO)2(PPh3) 、 [η4-5-exo-(1'-C5H5)C5H5]Fe(CO)2(PPh3) 在 C₄H₉Li 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 生成 1',4'-C5H4[(C5H5-5-exo-η4)Fe(CO)2(PPh3)]2 、 1',3'-C5H4[(C5H5-5-exo-η4)Fe(CO)2(PPh3)]2
  参考文献：
  名称：

  Ferrocenediyl-Bridged Triiron Complexes

  摘要：

  The reaction of 2 equiv of CpFe(CO)(2)I and 1,1 ' -dilithioferrocene in the presence of 2 equiv of PPh(3) is an intermolecular version of the reaction of CpFe(CO)(2)I and (eta (5)-C(5)H(4)Li)Fe(C(5)H(4)PPh(2)). In the three-component procedure, the PPh(3) substitution for iodide on CpFe(CO)(2)I is much faster than the nucleophilic Fc-addition at the Fe-center or at a CO ligand of CpFe(CO)(2)I. This one-pot reaction proceeds through [CpFe(CO)(2)PPh(3)(+)] and yields CpFe(CO)(PPh(3))[mu ,C:eta (5)-C(O)C(5)H(4)]Fe [mu,eta (5):eta (4)-5-exo-(1 ' -C(5)H(4))C(5)H(5)]Fe(CO)(2)(PPh(3)) (4) in 50% yield, with the 1,1 ' -dilithioferrocene participating twice in the nucleophilic Fc-additions: at the Cp-ring and at a CO ligand of [CpFe(CO)(2)PPh(3)(+)]. Complex 4 is a ferracenediyl-bridged tri-Fe complex with three different Fe-centers: a metallocene Fe(II), a square-pyramidal pentacoordinate Fe(0), and a half-sandwich acyl-Fe(II). It has been found that, in the second Fc-additions, the pathway from (eta (5)-C(5)H(4)Li)Fe[mu,eta (5):C-C(5)H(4)C(O)]FeCp(CO)(PPh(3)) (9) to 4 proceeds normally, but the pathway from 9 to Fe[(mu,eta (5):C-C(5)H(4))C(O)FeCp(CO)(PPh(3))](2) (5r) has been turned off. The preference of Fc-addition for 9 onto the Cp-ring of [CpFe(CO)(2)PPh(3)(+)] could be reasoned by a localization of the Li(+) cation in 9.

  DOI：

  10.1021/om0008528