Fe2(CO)2(cyclopentadienyl)2(μ-CO)(μ-C=NPh) | 12149-07-4

• 英文名称: Fe2(CO)2(cyclopentadienyl)2(μ-CO)(μ-C=NPh)
• 英文别名: {(FeCp(CO))2(μ-CO)(μ-CNPh)}；[Fe₂Cp₂(CO)₃(CNCH₂Ph)]；μ-carbonyl-dicarbonylbis(η5-cyclopentadienyl)(μ-phenylisocyanide)diiron
• CAS: 12149-07-4
• 化学式: C₂₀H₁₅Fe₂NO₃
• 分子量: 429.038
• InChiKey: ZIXGNXNGQKIOHW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 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：

  Fe2(CO)2(cyclopentadienyl)2(μ-CO)(μ-C=NPh) 、 1-异苯甲腈 以 not given 为溶剂， 生成
  参考文献：
  名称：

  The preparation and spectra of [Fe2(η-C5H5)2(CO)4−n(CNAr)n] complexes. The reaction of [Fe(CO)5−m(CNAr)m] with dicyclopentadiene

  摘要：

  The relatively elusive [Fe2(eta-C5H5)2(CO)4-n(CNAr)n] complexes where n = 1 or 2 and Ar = C6H5, 2-MeC6H4, 4-MeC6H4, 2,4-Me2C6H3, 2,6-Me2C6H3 and 2,4,6-Me3C6H2 have been prepared by two effective, but not completely general routes. One is the light-catalyzed substitution of [Fe2(eta-C5H5)2(CO)4] by ArNC which gives the derivatives where n = 1 or 2 and, eventually, 4. The other is the reaction at 145-degrees-C of dicyclopentadiene with [Fe(CO)5] and ArNC or with [Fe(CO)4(CNAr)], but not with [Fe(CO)3(CNAr)2] or [Fe(CO)4(CNMe)]. The pathway of the reaction of dicyclopentadiene with [Fe(CO)5]or[Fe(CO)4(CNAr)] is discussed and it is concluded that it does not proceed via cyclopentadine and mononuclear cyclopentadienyl complexes but via species containing dicyclopentadiene and two metal atoms which are formed at an early stage in the reaction and which remain associated throughout the reaction up to the formation of the [Fe2(eta-C5H5)2(CO)4-n(CNAr)n] derivatives. The infrared and H-1 NMR spectra of the complexes are reported and discussed.

  DOI：

  10.1016/s0020-1693(00)83073-x
• 作为产物：
  描述：

  {(FeCp(CO))2(μ-CO)(μ-C(CN)NHPh)} 以 二氯甲烷 为溶剂， 以90%的产率得到Fe2(CO)2(cyclopentadienyl)2(μ-CO)(μ-C=NPh)
  参考文献：
  名称：

  Albano, Vincenzo G.; Bordoni, Silvia; Braga, Dario, Angewandte Chemie, 1991, vol. 103, p. 895 - 897

  摘要：

  DOI：

文献信息

• Carbonyl-isocyanide mono-substitution in [Fe2Cp2(CO)4]: A re-visitation
  作者：Lorenzo Biancalana、Gianluca Ciancaleoni、Stefano Zacchini、Guido Pampaloni、Fabio Marchetti

  DOI：10.1016/j.ica.2020.120181

  日期：2021.3

  in a molar excess with respect to the isocyanide (1.6 equivalents; 1.1 for the synthesis of 8). The products were separated from unreacted [Fe2Cp2(CO)4] by chromatography or via reversible protonation, and finally isolated in 50-83 % yields. IR and NMR spectroscopy indicate that the isocyanide ligand is bridging coordinated in 2 and 7, terminal in 3 and 5, while in the remaining cases a mixture of terminal-

  摘要[Fe2Cp2（CO）4]与一系列异氰酸酯CNR的反应在乙腈中进行，热处理后得到单异氰酸酯衍生物[Fe2Cp2（CO）3（CNR）] [R = 1H -吲哚-5-基，1；CH2P（O）（OEt）2，2; Cy = C6H11，3; 4-C6H4OMe，4；Xyl = 2,6-C6H3Me2，5; 我6岁；2-萘基，7；Bn = h，8]。为了避免多个取代，相对于异氰酸酯使用摩尔过量的二铁反应物（1.6当量；用于合成8的1.1）。通过色谱法或通过可逆质子化将产物与未反应的[Fe2Cp2（CO）4]分离，最后以50-83％的产率分离。红外和核磁共振光谱表明，异氰酸酯配体在2和7桥联，在3和5桥联，而在其余情况下，则获得了末端和桥联CNR异构体的混合物。通过X射线衍射确定5的分子结构。通常，异氰酸酯的配位模式几乎不受环境（具有不同极性，固态的溶剂）的影响。在回流的甲苯中加热时，对于3
• Synthesis and fluxional character of complexes of the type [M₂(cp)₂(CO)₃(CNR)](M = Fe or Ru, cp =η-C₅H₅)
  作者：James A. S. Howell、Anthony J. Rowan

  DOI：10.1039/dt9800000503

  日期：——

  data for the complexes [M2(cp)2(CO)3(CNR)][cp =η-C5H5, M = Fe, R = Me, C2H5, CH(CH3)2, C(CH3)3, or Ph; M = Ru, R = Me, C2H5, CH(CH3)2, or C(CH3)3] show that, in solution, mixtures of isomers containing bridging and terminal isonitrile ligands exist; the n.m.r. results may be interpreted in terms of the Adams–Cotton mechanism. N.m.r. (1H and 13C) spectra for [Os2(cp)2(CO)4] have also been recorded. The

  红外和13 C和1个NMR的络合物数据H [M 2（CP）2（CO）3（CNR）] [CP =η-C 5 H ^ 5，M =铁，R =我，C 2 ħ 5， CH（CH 3）2，C（CH 3）3或Ph; M = Ru，R = Me，C 2 H 5，CH（CH 3）2或C（CH 3）3]表明在溶液中存在含有桥联和末端异腈配体的异构体的混合物；核磁共振结果可以用亚当斯-棉花机制来解释。还记录了[Os 2（CP）2（CO）4 ]的Nmr（1 H和13 C）光谱。质子化和烷基化的衍生物[M 2（CP）2（CO）3（CNHR）] [PF 6 ] [M = Fe，R = CH 3，C 2 H 5，CH（CH 3）2，C（CH 3）3或Ph；M = Ru，R = C 2 H 5]和[Fe 2（CP）2（CO）3（CNRR'）] [PF 6 ] [R = CH 3或CH（CH 3）2；还制备了R'= C 2
• Christian, Goetz; Lentz, Dieter; Hartl, Hans, Chemische Berichte, 1992, vol. 125, p. 1093 - 1100
  作者：Christian, Goetz、Lentz, Dieter、Hartl, Hans、Fehlhammer, Wolf Peter

  DOI：——

  日期：——
• Diiron Aminoalkylidene Complexes
  作者：Valerio Zanotti、Silvia Bordoni、Luigi Busetto、Lucia Carlucci、Antonio Palazzi、Rossella Serra、Vincenzo G. Albano、Magda Monari、Fabio Prestopino

  DOI：10.1021/om00011a046

  日期：1995.11

  The reactions of the sulfonium salts [Fe-2(CO)(2)(cp)(2)(mu-CO)mu-C(X)SMe(2)}]SO3CF3 [X = CN (1a), H (1b)] with a variety of amines are presented. 1a yields ammonium cations [Fe-2(CO)(2)(cp)(2)(mu-CO)mu-C(CN)NR(3)}] [R = Me (2), Dabco (3) (Dabco = 1,4-diazabicyclo[2.2.2]octane)], aminoalkylidene [Fe-2(CO)(2)(cp)(2)(mu-CO)mu-C(CN)NR(2)}] (4), isocyanide [Fe-2(CO)(2)(cp)(2)(mu-CO)(mu-CNR)] (7), or diaminoalkylidene [Fe-2CN(H)(CH2)(2)N(H)}(CO)(cp)(2)(mu-CO)(2)] (11) complexes by reacting with tertiary amines, secondary amines, primary amines, or ethylenediamine, respectively. 1b and secondary amines yield [Fe-2(CO)C(H)NR(2)}(cp)(2)(mu-CO)(2)] (6). The formation of type 4 bridging and 6 terminal aminoalkylidene derivatives also via mu-C addition of CN- or H- to aminoalkylidyne [Fe-2(CO)(2)(cp)(2)(mu-CO)(mu-CNR(2))](+), respectively, as well as the preparation of the terminal [Fe-2C(CN)NPr2i}(CO)(cp)(2)(mu-CO)(2)] (5) from 1a and NHPr2i, allows to clarify the role of electronic and steric effects in determining the position of the aminoalkylidene ligands. The X-ray structure of 5 has been determined. The crystal contains two independent molecules of the trans-isomer. The terminally bonded aminoalkylidene ligand exhibits weaker Fe-C(carbene) (Fe-C 1.915(3) Angstrom) and stronger C(carbene)-N(amine) pi bonds (C-N 1.320(4) Angstrom) with respect to the bridging coordination. Electrochemistry shows that 5 undergoes a chemically reversible one electron oxidation to the corresponding monocation [5](+), which has been characterized by X-band EPR spectroscopy. All the complexes have been spectroscopically characterized, and a variable-temperature NMR on [Fe-2(Co)C(H)NMe(2)}(cp)(2)(mu-CO)(2)] (6a) indicates exchange of the aminoalkylidene ligand between the two Fe atoms.
• Isonitrilsynthesen am komplex
  作者：Wolf Peter Fehlhammer、Andreas Mayr

  DOI：10.1016/s0022-328x(00)88563-0

  日期：1980.5