[Ru2(μ-CNMe2)(μ-CO)(NCMe)(CO)(Cp)2]SO3CF3 | 306741-84-4

• 英文名称: [Ru2(μ-CNMe2)(μ-CO)(NCMe)(CO)(Cp)2]SO3CF3
• 英文别名: [Ru2(μ-CN(Me)2)(μ-CO)(CO)(MeCN)(C5H5)2]CF3SO3；[Ru2(μ-CN(Me)2)(μ-CO)(CO)(MeCN)(Cp)2][SO3CF3]
• CAS: 306741-84-4
• 化学式: CF₃O₃S*C₁₇H₁₉N₂O₂Ru₂
• 分子量: 634.56
• InChiKey: CDBNXYOEXWLOIN-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：

  [Ru2(μ-CNMe2)(μ-CO)(NCMe)(CO)(Cp)2]SO3CF3 、 sodium tetrahydroborate 以 乙腈 为溶剂， 以57%的产率得到[Ru2(μ-CNMe2)(μ-H)(CO)2(Cp)2]
  参考文献：
  名称：

  Reactions of acetonitrile di-iron μ-aminocarbyne complexes; synthesis and structure of [Fe2(μ-CNMe2)(μ-H)(CO)2(Cp)2]

  摘要：

  The complexes [Fe-2{mu-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-2{mu-CN(Me)R}(mu-CO)(CO)(2)(Cp)(2)]SO3CF3 (1a-c) precursors, react with NBu4CN affording the cyano complexes [Fe-2{mu-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-2{mu-CN(Me)R}(mu-CO)(Cl)(CO)(Cp)(2)] (4a-b). The mu-hydride complexes [Fe-2{mu-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.

  DOI：

  10.1016/s0022-328x(00)00337-5
• 作为产物：
  描述：

  [(η-C5H5)2Ru2(CO)2(μ-CO)(μ-CNMe2)]CF3SO3 、 乙腈 在 (CH₃)3NO 作用下， 以 乙腈 为溶剂， 生成 [Ru2(μ-CNMe2)(μ-CO)(NCMe)(CO)(Cp)2]SO3CF3
  参考文献：
  名称：

  Reactions of acetonitrile di-iron μ-aminocarbyne complexes; synthesis and structure of [Fe2(μ-CNMe2)(μ-H)(CO)2(Cp)2]

  摘要：

  The complexes [Fe-2{mu-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-2{mu-CN(Me)R}(mu-CO)(CO)(2)(Cp)(2)]SO3CF3 (1a-c) precursors, react with NBu4CN affording the cyano complexes [Fe-2{mu-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-2{mu-CN(Me)R}(mu-CO)(Cl)(CO)(Cp)(2)] (4a-b). The mu-hydride complexes [Fe-2{mu-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.

  DOI：

  10.1016/s0022-328x(00)00337-5

文献信息

• New diruthenium vinyliminium complexes from the insertion of alkynes into bridging aminocarbynes
  作者：Luigi Busetto、Fabio Marchetti、Stefano Zacchini、Valerio Zanotti

  DOI：10.1016/j.jorganchem.2006.01.020

  日期：2006.5

  give the new complexes [Ru2μ-η1:η3-C(R′)C(R′)CN(Me)(R)}(μ-CO)(CO)(Cp)2][SO3CF3] (R = Bz, R′ = CO2Me, 11; R = Xyl, R′ = Et, 12a; R = Bz, R′ = Et, 12b; R = Xyl, R′ = Me, 13). The reactions of 2–7, 9, 11–13 with hydrides (i.e., NaBH4, NaH) have been also studied, affording μ-vinylalkylidene complexes [Ru2μ-η1:η3-C(R′)C(R″)C(H)N(Me)(R)}(μ-CO)(CO)(Cp)2] (R = Bz, R′ = Me3Si, R″ = H, 14a; R = Me, R′ = Me3Si

  初级炔烃R'CCH [R'= Me 3 Si，Tol，CH 2 OH，CO 2 Me，（CH 2）4 CCH，Me]插入金属-双钌μ-氨基碳炔[Ru 2 μ- CN（Me）（R）}（µ-CO）（CO）（MeCN）（CP）2 ] [SO 3 CF 3 ] [R = 2,6-Me 2 C 6 H 3（xyl），1a ; CH 2 Ph（Bz），1b ; 我，1C ]，得到vinyliminium络合物的[Ru 2 μ-η 1：η 3 -C（R'）CHCN（Me）的（R）}（μ-CO）（CO）（CP）2 ] [SO3 CF 3 ] [R = xyl，R'= Me 3 Si，2a ; R = Bz，R'= Me 3 Si，2b ; R = Me，R'= Me 3 Si，2c ; R =二甲苯基，R'= Tol，3a ; R = Bz，R'= Tol，3b ; R = Bz，R'= CH 2 OH，4
• Diiron and diruthenium aminocarbyne complexes containing pseudohalides: stereochemistry and reactivity
  作者：Luigi Busetto、Fabio Marchetti、Stefano Zacchini、Valerio Zanotti

  DOI：10.1016/j.ica.2004.11.033

  日期：2005.3

  Acetonitrile is easily displaced from [Fe-2mu-CN(Me)(R)}(mu-CO)(CO)(MeCN)(CP)(2)][SO3CF3] (R = 2.6-Me2C6H3 (Xyl) (1a); Me (1b)) upon stirring in THF at room temperature in the presence of [NBu4][SCN]. The resulting complexes trans-[Fe-2mu-CN(Me)(R)}(mu-CO)(CO)(NCS)(CP)(2)] (R = Xyl (trans-2a); Me (trans-2b)) are completely isomerised to cis-[Fe-2mu-CN(Me)(R)}(mu-CO)(CO)(NCO)(Cp)(2)] (R = Xyl (cis-2a); Me (cis-2b)) when heated at reflux temperature. Similarly, the complexes cis-[M-2mu-CN(Me)(R)}(mu-CO)(CO)(NCO)(Cp)(2)] (M = Fe, R = Me (4a); M = Ru, R = Xyl (4b); M = Ru, R = Me (4c)) and cis-[M-2mu-CN(Me)(R)}(mu-CO)(CO)(N-3)(CP)(2)] (M = Fe, R = Xyl (5a); M = Fe, R = Me (5b); M = Ru, R = Xyl (5c)) can be obtained by heating at reflux temperature a THF solution of [M-2mu-CN(Me)(R)}(mu-CO)(CO)(MeCN)(Cp)(2)][SO3CF3] (M = Fe, R = Xyl (1a); M = Fe, Me (1b); M = Ru, R = Xyl (1c); M = Ru, R = Me (1d)) in the presence of NaNCO and NaN3, respectively. The reactions of 5 with MeO2CC&3bond; CCO2Me, HC&3bond; CCO2Me and (NC)(H)C=C(H)(CN) afford the triazolato complexes [M-2mu-CN(Me)(R)}(mu-CO)(CO)N3C2(CO2Me)(2)}(Cp)(2)] (M = Fe, R = Xyl (6a); M = Fe, R = Me (6b); M = Ru, R = Xyl (6c)), [M-2mu-CN(Me)(R)}(mu-CO)(CO)N3C2(H)(CO2Me)}(Cp)(2)] (M = Fe, R = Me (7a): M = Ru, R = Xyl (7b)) and [Fe-2mu-CN(Me)(Xyl)}(mu-CO)(CO)(N3C2(H)(CN)}(Cp)(2)] (8), respectively. The asymmetrically substituted triazolato complexes 7-8 are obtained as mixtures of N(1) and N(2) bonded isomers, whereas 6 exists only in the N(2) form. Methylation of 6-8 results in the formation of the triazole complexes [Fe-2mu-CN(Me)(Xyl)}(mu-CO)(CO)N-3(Me)C-2(CO2Me)(2)}(Cp)(2)][CF3SO3] (9). [M-2mu-CN(Me)(R)}(mu-CO)(CO)N-3(Me)C-2(H)(CO2Me)}(Cp)(2)][CF3SO3] (M = Fe, R = Me (10a); M = Ru, R = Xyl (10b)) and [Fe-2mu-CN(Me) (Xyl)}(mu-CO)(CO)N-3(Me)C-2(H)(CN)}(Cp)(2)][CF3SO3], 11. The crystal structures of trans-2b, 4b center dot CH2Cl2, 5a, 6b center dot 0.5CH(2)Cl(2) and 8 center dot CH2Cl2 have been determined. (c) 2004 Elsevier B.V. All rights reserved.