Co2(CO)6( 2-ferrocenylacetylene) | 56665-21-5

• 英文名称: Co2(CO)6( 2-ferrocenylacetylene)
• 英文别名: fc-C=CHCo2(CO)8；(μ₂-pyrene-ethynylpyrene)Co₂(CO)₆；[Co2(CO)6(μ-η(2):η(2)-ethynylferrocene)]；[(Co2(CO)6)(μ,η2-(ferrocenyl)CCH)]；[Co2(CO)6(μ,η2-HCC(ferrocenyl))]；ethynylferrocene dicobalthexacarbonyl complex
• CAS: 56665-21-5
• 化学式: C₁₈H₁₀Co₂FeO₆
• 分子量: 496.107
• InChiKey: HAJXFDFXRMLNDN-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：

  Co2(CO)6( 2-ferrocenylacetylene) 、 三甲基乙炔基硅 以 1,4-二氧六环 为溶剂， 反应 4.0h， 以68.4%的产率得到-ferrocenyl-2,4-ditrimethylsilylbenzene
  参考文献：
  名称：

  An effective method for the synthesis of monoferrocenylbenzene derivatives

  摘要：

  Three new ferrocenylbenzene derivatives, 1-ferrocenyl-2,3,4,5-tetramethylbenzene (1), 1-ferrocenyl-2,4-diphenylbenzene (2), and 1-ferrocenyl-2,4-ditrimethylsilylbenzene (3), were synthesized by cycloaddition of ferrocenylacetylene cobalt cluster with different alkynes and characterized by elemental analysis, FT-IR, NMR, and MS. The molecular structures of 2 and 3 were identified by single-crystal X-ray diffraction. The oxidation potentials of ferrocenyl unit in these compounds were investigated by cyclic voltammetry and theoretical calculations. The results indicated that the electron-donating or electron-withdrawing effect of substituents on the central phenyl was the key factor that influenced the oxidation potential of the ferrocenyl unit.

  DOI：

  10.1080/00958972.2012.732696
• 作为产物：
  描述：

  [Co4(CO)8(μ4.,η2-HCC(ferrocenyl))] 以 not given 为溶剂， 生成 Co2(CO)6( 2-ferrocenylacetylene)
  参考文献：
  名称：

  Co₂(CO)₆(μ,η²-HCCFc) as Precursor in the Synthesis of Multiredox Cyclic and Linear Vinylferrocenylsiloxanes

  摘要：

  Novel vinylferrocenyl-functionalized cyclic and linear polysiloxanes [MeSi{C(Fc)=CH2}O](4) (1) and (Me3SiO)-(MeSi{C(Fc)=CH2}O)(n) (SiMe3) (n approximate to 35) (3) (Fc = (eta(5)-C5H4)Fe(eta(5)-C6H6) have been synthesized by hydrosilylation reactions of the heterometallic compound Co-2(CO)(6)(mu,eta(2)-HCCFc) with the Si-H-functionalized polysiloxane frameworks [MeSiHO](4) and (Me3SiO)(MeSiHO) (SiMe3). The solution electrochemical behavior of polysiloxanes 1 and 3 has been investigated and showed that all the vinylferrocenyl units present in the molecules are electrochemically independent. Both neutral tetrametallic cyclotetrasiloxane 1 and,polysiloxane 3 become insoluble upon complete oxidation to the corresponding polycationic species, yielding electroactive films on platinum electrodes. In addition, stable electrode surfaces modified with the polyvinylferrocenylsiloxane 3 have been prepared and electrochemically characterized. The well-defined and persistent redox waves of electrodes coated with the polyvinylferrocenylsiloxane films are Characteristic of electrochemically stable, surface-confined reversible redox couples.

  DOI：

  10.1021/om201018h

文献信息

• Synthesis, characterization of new RhCo mixed-metal clusters and reactions of clusters containing [Rh2Co2C2] core with 1-alkynes and/or carbon monoxide
  作者：Bao-Hua Zhu、Wei-Qiang Zhang、Quan-Yi Zhao、Zhi-Guo Bian、Bin Hu、Yu-Hua Zhang、Yuan-Qi Yin、Jie Sun

  DOI：10.1016/s0022-328x(02)01219-6

  日期：2002.5

  the CoCo bond of the tetranuclear clusters to give butterfly clusters. [Rh2Co2(CO)6(μ-CO)4(μ4,η2-HCCFeCp2)] (1) was characterized by a single-crystal X-ray diffraction analysis. Reactions of 1, 2 with 7, 8 and ambient pressure of carbon monoxide at 25 °C gave two known cluster complexes [Co2(CO)6(μ2, η2-HCCR)] (R=FeCp210, CH2OH 11), respectively. All clusters were characterized by element analysis

  六个新的群集衍生物的[Rh 2共2（CO）6（μ-CO）4（μ 4，η 2 -HCCR）]（R = FeCp 2 1，CH 2 OH 2，（CH 3 O）C 10 ħ 6 CH（CH 3）COOCH 2 CCH 3）和[RHCO 3（CO）6（μ-CO）4（μ 4，η 2 -HCCR）]（R = FeCp 2 4，CH 2 OH 5，（CH 3 O）C 10通过[Rh 2 Co 2（CO）12 ]和[RhCo 3（CO）12 ]与取代的1-炔配体HCCR[R]反应，得到H 6 CH（CH 3）COOCH 2 CCHCH 6）。= FeCp 2 7，CH 2 OH 8，（CH 3 O）C 10 H ^ 6 CH（CH 3）COOCH 2 CCH 9 ]在ñ在室温下，分别己烷。炔烃插入四核簇的CoCo键，形成蝴蝶簇。[Rh 2CO 2（CO）6（μ-CO）4（μ 4，η 2 -HCCFeCp
• Photochemical or electrochemical bond breaking – exploring the chemistry of (μ₂-alkyne)Co₂(CO)₆ complexes using time-resolved infrared spectroscopy, spectro-electrochemical and density functional methods
  作者：Jennifer C. Manton、Florian J. R. Cerpentier、Emma C. Harvey、Ian P. Clark、Gregory M. Greetham、Conor Long、Mary T. Pryce

  DOI：10.1039/c9dt03006a

  日期：——

  The photochemistry of (μ2-CRCR′)Co2(CO)6 complexes (R = pyrenyl, R′ = H; R = pyrenyl, R′ = ferrocenyl; R = ferrocenyl, R = H) was investigated by ps-time-resolved infrared spectroscopy at room temperature in dichloromethane solution. The main focus of these studies was to determine the primary photoprocess relevant to the light assisted Pauson–Khand reaction. These studies were supported by spectro-electrochemical

  的光化学（μ 2 -CRCR'）有限公司2（CO）6层的复合物（R =芘基，R'= H; R =芘基，R'=二茂铁基; R =二茂铁基，R = H）是由PS-时间调查室温下在二氯甲烷溶液中分离的红外光谱。这些研究的主要重点是确定与光辅助的Pauson-Khand反应有关的主要光过程。这些研究得到了光谱电化学研究和密度泛函计算的支持，这表明引发Pauson-Khand反应的主要过程涉及Co-Co键的均质裂解，形成高自旋双自由基物质，而不是像以前那样发生CO损失。想法。
• Reactions of ethynylferrocene and 3,3,3-trifluoropropyne with (PPh3)2 Ni(CO)2, CO2(CO)8 and trans-(PPh3)2 IrCl(CO)
  作者：C.U. Pittman、L.R. Smith

  DOI：10.1016/s0022-328x(00)92113-2

  日期：1975.5

  Ethynylferrocene (FcCCH, Fc = ferrocene)oligomerized to linear dimer FcCHCHCCFc (V), linear trimer FcCH-CHC(=CHFc)CCFc and 1,2,4triferrocenylbenzene in the presence of (PPh3)2Ni(CO)2 and its polymer-anchored analogs. The rate of oligomerization decreased as the crosslink density of the anchored catalysts increased, but product distribution remained the same as when the soluble catalyst was used. 3,3,3-Trifluoropropyne

  乙炔基二茂铁（FcCCH，Fc =二茂铁）在（PPh 3）2存在下低聚为线性二聚体FcCHCHCCFc（V），线性三聚体FcCH-CHC（= CHFc）CCFc和1,2,4三茂铁基苯Ni（CO）2及其聚合物锚定的类似物。寡聚化速率随着锚定催化剂的交联密度的增加而降低，但是产物分布与使用可溶性催化剂时相同。3,3,3-三氟丙炔在高达150°C的温度下不会低聚。在与一当量的Co 2（CO）8反应后，乙炔基二茂铁转化为μ-二茂铁基乙炔六羰基二钴（VIII）。乙炔基二茂铁与反式-（PPh 3）2的反应IrCl（CO）给出V，VI和六坐标的CO（Cl）（FcCC）H（PPh 3）2 Ir III（IX）。化合物IX显示出Δ v 42厘米（CO）-1相对于羰基二（三苯基膦）氯化铱，略低于沃什卡的“容易可逆”的类别，并且它不能被以纯的形式，由于容易还原消除ethynylferrocene的隔离。3
• Ferrocenylalkynes as ligands in transition metal complexes
  作者：Elise Champeil、Sylvia M. Draper

  DOI：10.1039/b008803j

  日期：——

  Several ferrocenylalkynes have been prepared and their reaction with dicobalt octacarbonyl led to the formation of [Co2(CO)6(μ-η2 ∶ η2-ethynylferrocene)] 1, [Co2(CO)6(μ-η2 ∶ η2-1,4-bis(ferrocenyl)butadiyne)] 2, [(Co2(CO)6)2(μ-η2 ∶ η2,μ-η2 ∶ η2-1,4-bis(ferrocenyl)butadiyne)] 3, [Co2(CO)6(μ-η2 ∶ η2-1-ferrocenylethynyl-2-hydro-1,2-dihydro-[60]fullerene)] 4, [Co2(CO)6(μ-η2 ∶ η2-1,1’-bis(phenylethynyl)ferrocene)] 5 and [(Co2(CO)6)2(μ-η2 ∶ η2,μ-η2 ∶ η2-1,1′-bis(phenylethynyl)ferrocene)] 6. The [Mo–Co]-alkyne adducts [MoCo(CO)5(η5-C5H5)(μ-η2 ∶ η2-ethynylferrocene)] 7 and [MoCo(CO)5(η5-C5H5)(μ-η2 ∶ η2-1,4-bis(ferrocenyl)butadiyne)] 8 were obtained from complexes 1, 2 and 3. The molecular structures of compounds 2, 3, 6 and 7 were determined by X-ray diffraction, only 6 has the cyclopentadienyl rings of the ferrocene unit eclipsed. The reaction of 1 with bis(diphenylphosphino)methane (dppm) and 1,1′-bis(diphenylphosphino)ferrocene (dppf) resulted in the formation of [Co2(CO)4(μ-η1 ∶ η1-dppm)(μ-η2 ∶ η2-ethynylferrocene)] 9 and [(Co2(CO)4)2(μ-η1 ∶ η1-dppf)2(η1-μ-η1-dppf)(μ-η2 ∶ η2-ethynylferrocene)2] 10, respectively. The reaction of HPPh2 with 7 gave the monosubstituted product [MoCo(CO)4(η5-C5H5)(PHPh2)(μ-η2,η2-ethynylferrocene)] 11. The bis(phosphido)-bridged complex [Co2(CO)6(μ-PPh2)2] undergoes regiospecific insertion with ethynylferrocene to give [Co2(CO)4(μ-η4-PPh2CHCRC(O)}(μ-PPh2)] (R = ferrocene) 12, which was characterized by X-Ray diffraction and contains a five-membered metallacyclic ring.

  制备出了几种二茂铁炔，它们与八羰基二钴反应生成了[Co2(CO)6(μ-η2 ∶ η2-乙炔基二茂铁)]1、[Co2(CO)6(μ-η2 ∶ η2-1、4-bis(ferrocenyl)butadiyne)] 2, [(Co2(CO)6)2(μ-η2 ∶ η2,μ-η2 ∶ η2-1,4-bis(ferrocenyl)butadiyne)] 3, [Co2(CO)6(μ-η2 ∶ η2-1-ferrocenylethynyl-2-hydro-1,2-dihydro-[60]fullerene)] 4, [Co2(CO)6(μ-η2 ∶ η2-1-ferrocenylethynyl-2-hydro-1,2-dihydro-[60]fullerene)4、[Co2(CO)6(μ-η2 ∶ η2-1,1'-双(苯乙炔基)二茂铁)] 5 和[(Co2(CO)6)2(μ-η2 ∶ η2,μ-η2 ∶ η2-1,1′-双(苯乙炔基)二茂铁)] 6。从络合物 1、2 和 3 中得到了[Mo-Co]-炔加合物[MoCo(CO)5(η5-C5H5)(μ-η2 ∶ η2-乙炔基二茂铁)]7 和[MoCo(CO)5(η5- )(μ-η2 ∶ η2-1,4-双(二茂铁基)丁二烯)]8。通过 X 射线衍射确定了化合物 2、3、6 和 7 的分子结构，其中只有 6 的二茂铁单元的环戊二烯环被遮挡。1 与双（二苯基膦）甲烷（dppm）和 1、1′-双（二苯基膦）二茂铁（dppf）反应，生成[Co2(CO)4(μ-η1 ∶ η1-dppm)(μ-η2 ∶ η2-二茂铁乙炔）]9 和[（Co2（CO）4）2（μ-η1 ∶ η1-dppf）2（η1-μ-η1-dppf）（μ-η2 ∶ η2-二茂铁乙炔）2] 10、分别为HPPh2 与 7 反应得到了单取代产物[MoCo(CO)4(η5- )(PHPh2)(μ-η2,η2-二茂铁乙炔)]11。双（膦基）桥接复合物 [Co2(CO)6(μ-PPh2)2] 与二茂铁乙炔发生区域特异性插入，得到 [Co2(CO)4(μ-η4-PPh2CHCRC(O)}(μ-PPh2)] （R = 二茂铁）12，该复合物经 X 射线衍射表征，含有一个五元金属环。
• Hydrosilylation of Ferrocenylalkyne−Dicobalthexacarbonyl Complexes. Model Reactions for the Synthesis of Organometallic Dendrimers
  作者：Ángel Nievas、Jorge J. González、Elisa Hernández、Esther Delgado、Avelino Martín、Carmen M. Casado、Beatriz Alonso

  DOI：10.1021/om1011903

  日期：2011.4.11

  }═C(H)Fc]4 (6). Characterization of all compounds by 1H, 13C1H}, and 29Si1H} NMR and IR spectroscopy, as well as mass spectrometry, supports their assigned structures. The molecular structures of compounds [Co3(CO)9}(μ3-CCH2Fc)] (2), [C(O)C(Fc)═C(SiEt3)C═C(H)Fc] (5), [Co2(CO)6}(μ,η2-FcC≡CCCH)] (8), and [Co2(CO)6}2(μ,η2,η2-FcCCCCSiMe3)] (9) have been determined by single-crystal X-ray diffraction

  区域选择性和ferrocenylalkyne-dicobalthexacarbonyl复合物与HSiEt立体选择性氢化硅烷化反应3或树枝状聚合物的Si [CH 2 CH 2 CH 2的Si（CH 3）2 H] 4已经得到ferrocenylvinylsilanes [FCC（SIET 3）= CH 2 ]（1） ，[FcC≡CC（SiEt 3）═C（H）R] [R = Fc（E - 4），H（13），SiMe 3（Z - 15）]和[（E）-FcC（H） = C（SIET 3）C≡CSiMe 3 ]（14）和ferrocenylvinyl官能碳硅烷树状体的Si [CH 2 CH 2 CH 2的Si（CH 3）2 C（Fc）的= CH 2 ] 4（3）和（Ž）-Si [CH 2 CH 2 CH 2的Si（CH 3）2 C C≡CFc}═C（H）Fc] 4（6）。通过1 H，13 C 1