[Fe2(μ-CN(Me)CH2Ph)(μ-CO)(NCCH3)(CO)(Cp)2]SO3CF3 | 306741-73-1

• 英文名称: [Fe2(μ-CN(Me)CH2Ph)(μ-CO)(NCCH3)(CO)(Cp)2]SO3CF3
• 英文别名: [Fe2((μ-CN(Me)(CH2Ph))(μ-CO)(CO)(NCMe)(η5-C5H5)2][SO3CF3]；[Fe2(μ-CN(Me)(CH2Ph))(μ-CO)(CO)(Cp)2(NCMe)](CF3SO3)；[Fe2(μ-CN(Me)(CH2Ph))(μ-CO)(CO)(NCMe)(Cp)2][SO3CF3]；[Fe2(μ-CNMe(CH2Ph))(μ-CO)(CO)(MeCN)(Cp)2][SO3CF3]
• CAS: 306741-73-1；511293-88-2；306741-71-9
• 化学式: CF₃O₃S*C₂₃H₂₃Fe₂N₂O₂
• 分子量: 620.212
• InChiKey: ONHUOMVOIUKMOX-UHFFFAOYSA-M

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：

  [Fe2(μ-CN(Me)CH2Ph)(μ-CO)(NCCH3)(CO)(Cp)2]SO3CF3 在 C₄H₉Li or NaH 作用下， 以 四氢呋喃 为溶剂， 以64%的产率得到(C₅H₅Fe)2CNCH₃CH₂C₆H₅(CO)2CH₂CN
  参考文献：
  名称：

  乙腈活化二铁μ-碳炔络合物：合成和结构的复杂氰基甲基的的[Fe 2（μ-CNME 2）（μ-CO）（CO）（CH 2 CN）（CP）2 ]

  摘要：

  的[Fe的反应2 {μ-CN（Me）的R}（μ-CO）（CO）（NCMe）（CP）2 ] SO 3 CF 3（R = Me中，图2a CH; 2 PH，2B ; 2,6- -Me 2 ç 6 ħ 3图2c）与礼部ñ得到相应的氰基甲基络合物的[Fe 2 {μ-CN（Me）的R}（μ-CO）（CO）（CH 2 CN）（CP）2 ]（图3a - ç），推测是通过去质子化和协调乙腈重排。同样地，benzylnitrile复杂的[Fe 2 {μ-CN（Me）的（2,6- -我2 Ç6 ħ 3）}（μ-CO）（CO）（NCCH 2 PH）（CP）2 ] SO 3 CF 3个产率的[Fe 2 {μ-CN（Me）的（2,6- -我2 ç 6 ħ 3） }（μ-CO）（CO）（CH（CN）PH）（CP）2 ]（3D）。的透视分子结构3a中已经示出的桥接配体的预期stereogeometry和显著不对称。去质

  DOI：

  10.1016/s0022-328x(02)01108-7
• 作为产物：
  描述：

  [Fe2(CO)2(cyclopentadienyl)2(μ-CO)(μ-CN(Me)Bz)](CF3SO3) 、 乙腈 在 十二/十四烷基二甲基氧化胺 作用下， 反应 1.0h， 生成 [Fe2(μ-CN(Me)CH2Ph)(μ-CO)(NCCH3)(CO)(Cp)2]SO3CF3
  参考文献：
  名称：

  双金属前体的钢琴凳氨基亚烷基-四环戊烯酮配合物：合成和细胞毒性数据

  摘要：

  吡咯烷与一系列含有桥联乙烯基亚胺配体的阳离子二铁环戊二烯基络合物的反应可中等至高收率地使用基于包括乙烯基氨基亚烷基部分的五元金属环的钢琴凳子单铁络合物。由此产生的金属环基序（氨基亚烷基-铁环戊烯酮）在有机金属化学中是独特的，并且在双核框架上部分预构建。通过元素分析，IR和多核NMR光谱对单铁产品进行了充分表征，在许多情况下，还通过X射线衍射和循环伏安法对其进行了表征。它们在水溶液中很坚固，并且通常对有机溶剂中的烷基化剂没有反应。但是，通过2-吡啶基的甲基化可以高收率制备阳离子衍生物。

  DOI：

  10.1002/cplu.201900639

文献信息

• Diiron μ-Vinyliminium Complexes from Acetylene Insertion into a Metal−Aminocarbyne Bond
  作者：Vincenzo G. Albano、Luigi Busetto、Fabio Marchetti、Magda Monari、Stefano Zacchini、Valerio Zanotti

  DOI：10.1021/om020923y

  日期：2003.3.1

  complexes [Fe2μ-CN(Me)(R)}(μ-CO)(CO)(NCMe)(Cp)2][SO3CF3] (R = Xyl, 1a; R = Me, 1b; R = CH2Ph, 1c; Xyl = 2,6-Me2C6H3), containing a labile NCMe ligand, react under mild conditions with a variety of terminal alkynes HC⋮CR‘ (R‘= SiMe3, Me, Bun, Tol, Ph, H; Tol = 4-MeC6H4) to give the bridging vinyliminium complexes [Fe2μ-σ:η3-C(R‘)CHCN(Me)(R)}(μ-CO)(CO)(Cp)2][SO3CF3] (R = Xyl, R‘ = SiMe3, 2a; R = Me, R‘ =

  配合物[Fe 2 μ-CN（Me）（R）}（μ-CO）（CO）（NCMe）（CP）2 ] [SO 3 CF 3 ]（R = Xyl，1a ; R = Me，1b； R = CH 2 Ph，1c ; Xyl = 2,6-Me 2 C 6 H 3），含有不稳定的NCMe配体，在温和条件下与各种末端炔烃HC⋮CR'（R'= SiMe 3，我，卜ñ，托尔中，Ph，H;托尔= 4-MEC 6 ħ 4），得到桥接vinyliminium络合物的[Fe 2 μ-σ：η 3 -C（R'）CHCN（Me）的（R）}（μ-CO）（CO）（CP）2 ] [SO 3 CF 3〕（R =的Xyl，R '=森达3，图2a ; R = Me中，R'=森达3，图2b ; R = CH 2的pH值，R '=森达3，图2c ; R =的Xyl，R'= Me中，图3a ; R = R '= Me中，图3b ; R =的Xyl，R'=卜ñ，4
• Stereochemistry of the insertion of disubstituted alkynes into the metal aminocarbyne bond in diiron complexes
  作者：Vincenzo G Albano、Luigi Busetto、Fabio Marchetti、Magda Monari、Stefano Zacchini、Valerio Zanotti

  DOI：10.1016/j.jorganchem.2003.11.003

  日期：2004.2

  metal–carbyne bond of the diiron complexes [Fe2μ-CN(Me)(R)}(μ-CO)(CO)(NCMe)(Cp)2][SO3CF3] (R=Xyl, 1a; CH2Ph, 1b; Me, 1c; Xyl=2,6-Me2C6H3), affording the corresponding μ-vinyliminium complexes [Fe2μ-σ:η3-C(R′)CHCN(Me)(R)}(μ-CO)(CO)(Cp)2][SO3CF3] (R=Xyl, R′=COOMe, 2; R=CH2Ph, R′=COOMe, 3; R=Me, R′=COOMe, 4; R=Xyl, R′=CH2OH, 5; R=Me, R′=CH2OH, 6). The insertion is regiospecific and C–C bond formation

  末端炔烃（HCCR '）（R ' = COOMe，CH 2 OH）插入二铁配合物[Fe 2 μ-CN（Me）（R）}（μ-CO）（CO ）（NCMe）（CP）2 ] [SO 3 CF 3 ]（R = Xyl，1a ; CH 2 Ph，1b ; Me，1c ; Xyl = 2,6-Me 2 C 6 H 3），得到相应的μ -vinyliminium络合物的[Fe 2 μ-σ：η 3 -C（R ' ）CHCN（Me）的（R）}（μ-CO）（CO）（CP）2 ] [SO 3 CF 3 ]（ R =二甲苯，R′ = COOMe，2 ; R ＝ CH 2 Ph，R ′＝ COOMe，3；R ＝ CH 2 Ph，R ′＝ COOMe，3。R = Me，R ' = COOMe，4；R ＝ Xyl，R ′＝ CH 2 OH，5；R ＝ Xyl，R ′＝ CH 2 OH，5。R ＝ Me，R ′＝
• Diiron Aminocarbyne Complexes with NCE− Ligands (E = O, S, Se)
  作者：Giulio Bresciani、Stefano Zacchini、Guido Pampaloni、Marco Bortoluzzi、Fabio Marchetti

  DOI：10.3390/molecules28073251

  日期：——

  [Fe2Cp2(kN-NCS)(CO)(μ-CO)μ-CN(Me)(CH2Ph)}], 3 in 67–81% yields via substitution of the acetonitrile ligand. The reaction of [1aNCMe–1cNCMe]CF3SO3 with KSeCN in THF at reflux temperature led to the cyanide complexes [Fe2Cp2(CN)(CO)(μ-CO)μ-CNMe(R)}], 6a–c (45–67%). When the reaction of [1aNCMe]CF3SO3 with KSeCN was performed in acetone at room temperature, subsequent careful chromatography allowed the separation of

  Diiron μ-氨基卡宾络合物 [Fe2Cp2(NCMe)(CO)(μ-CO)μ-CN(Me)(R)}]CF3SO3（R = Xyl，[1aNCMe]CF3SO3；R = Me，[1bNCMe]CF3SO3； R = Cy, [1cNCMe]CF3SO3; R = CH2Ph, [1dNCMe]CF3SO3), 由三羰基前体 [1a–d]CF3SO3 新鲜制备，与 NaOCN（在丙酮中）和 NBu4SCN（在二氯甲烷中）反应得到 [Fe2Cp2(kN) -NCO)(CO)(μ-CO)μ-CN(Me)(R)}] (R = Xyl, 2a; Me, 2b; Cy, 2c) 和 [Fe2Cp2(kN-NCS)(CO)( μ-CO)μ-CN(Me)(CH2Ph)}], 3 通过乙腈配体的取代得到 67–81% 的产率。[1aNCMe–1cNCMe]CF3SO3 与 KSeCN 在 THF 中在回流温度下反应生成氰化物络合物
• Hydride addition at μ-vinyliminium ligand obtained from disubstituted alkynes
  作者：Vincenzo G. Albano、Luigi Busetto、Fabio Marchetti、Magda Monari、Stefano Zacchini、Valerio Zanotti

  DOI：10.1016/j.jorganchem.2004.10.025

  日期：2005.2

  New mu-vinylalkylidene complexes cis-[Fe2mu-eta(1) :eta(3)-C-gamma(R')Cbeta(R")=CalphaHN(Me)(R)}(mu-CO)(CO)(Cp)(2)] (R = Me, R'= R" = Me, 3a; R = Me. R'= R" = Et. 3b; R = Me, R'= R" = Ph, 3c; R = CH2Ph, R'= R" = Me, 3d; R = CH2Ph, R'= R" = COOMe, 3e; R = CH, Ph, R' = SiMe3, R" = Me, 3f) have been obtained by reacting the corresponding vinyliminium complexes [Fe-2mu-eta(1):eta(3)-C-gamma(R')=Cp(R")C-alpha=N(Me)(R) }(mu-CO)(CO)(Cp)(2)][SO3CF3] (2a-f) with NaBH4. The formation of 3a-f occurs via selective hydride addition at the iminium carbon (C,) of the precursors 2a-f. By contrast, the vinyliminium cis-[Fe-2mu-eta(1):eta(3)-C-gamma (R') = Cp(R")C-alpha=N(Me)(Xyl)}(mu-CO)(CO)(Cp)(2)][SO3CF3] (R'= R" = COOMe, 4a; R'= R" = Me, 4b; R' = Pr", R" = Me. 4e: Pr-n = CH2CH2CH3, Xyl = 2,6-Me2C6H3) undergo H- addition at the adjacent C-beta, affording the bis-alkylidene complexes cis-[Fe-2mu-eta(1) :eta(2)-C(R')C(H)(R")CN(Me)(Xyl)}(mu-CO)(CO)(Cp)(2)], (5a-c). The cis and trans isomers of [Fe-2mu-eta(1) :eta(3)-C-gamma(Et)= C-beta(Et)C-alpha=N(Me)(Xyl)}(mu-CO)(CO)(Cp)(2)][SO3CF3] (4d) react differently with NaBH4: the former reacts at C, yielding cis-[Fe-2mu-eta(1):eta(3)-C-gamma(Et)Cp(Et)=CbetaHN(Me)(Xyl) (mu-CO)(CO)(Cp)(2)], 6a, whereas the hydride attack occurs at C-beta of the latter, leading to the formation of the bis alkylidene trans-[Fe-2mu-eta(1):eta(2)-C-gamma(Et)C(H)(Et)CN(Me)(Xyl)}(mu-CO)(CO)(Cp)(2)] (5d). The structure of 5d has been determined by an X-ray diffraction study. Other mu-vinylalkylidene complexes cis-[Fe-2mu-eta(1):eta(3)-C-gamma(R')CO(R")=CalphaHN(Me)(XYl)}(mu-CO)(CO)(Cp)(2)] (R' = R" = Ph, 6b; R' = R" = Me, 6c) have been prepared, and the structure of 6c has been determined by X-ray diffraction. Compound 6b results from treatment of cis-[Fe-2mu-eta(1):eta(3)-C-gamma(Ph)=Cl (Ph)C-alpha=N(Me)(Xyl)}(mu-CO)(CO)(Cp)(2)][SO3CF3] (4e) with NaBH4, whereas 6c has been obtained by reacting 4b with LiHBEt3. Both cis-4d and trans-4d react with LiHBEt3 affording cis-6a. (C) 2004 Elsevier B.V. All rights reserved.
• Reactions of acetonitrile di-iron μ-aminocarbyne complexes; synthesis and structure of [Fe2(μ-CNMe2)(μ-H)(CO)2(Cp)2]
  作者：Vincenzo G. Albano、Luigi Busetto、Magda Monari、Valerio Zanotti

  DOI：10.1016/s0022-328x(00)00337-5

  日期：2000.7

  The complexes [Fe-2mu-CN(Me)R}(mu-CO)(NCMe)(CO)(Cp)(2)]SO3CF3 (R = Me, 2a; 2,6-Me2C6H3, 2b' CH2Ph 2c), easily obtained from the corresponding [Fe-2mu-CN(Me)R}(mu-CO)(CO)(2)(Cp)(2)]SO3CF3 (1a-c) precursors, react with NBu4CN affording the cyano complexes [Fe-2mu-CN(Me)R}(mu-CO)(CN)(CO)(Cp)(2)] (3a-c) by displacement of the MeCN ligand. The analogous reaction with NBu4Cl leads to the formation of [Fe-2mu-CN(Me)R}(mu-CO)(Cl)(CO)(Cp)(2)] (4a-b). The mu-hydride complexes [Fe-2mu-CN(Me)R}(mu-H)(CO)(2)(Cp)(2)] (5a-b) have been prepared by reaction of 1a-b with NaBH4. The corresponding diruthenium compound [Ru-2(mu-CNMe2)(mu-H)(CO)(2)(Cp)(2)] (6) has been similarly obtained from [Ru-2(mu-CNMe2)(mu-CO)(NCMe) (CO)(Cp)(2)]SO3CF3. The X-ray molecular structure of 5a is that expected for cis isomers of this family of compounds. It shows a chiral conformation of the C5H5 ligands and the crystals are a conglomerate of enantiomeric individuals. NMR spectra of the various compounds, which are indicative of the presence of alpha-beta or cis-trans isomeric mixtures, are reported and discussed. (C) 2000 Elsevier Science S.A. All rights reserved.