[(η5-C9H7)Ru(C2H4)(PPh3)2]PF6 | 850449-71-7

• 英文名称: [(η5-C9H7)Ru(C2H4)(PPh3)2]PF6
• CAS: 850449-71-7
• 化学式: C₄₇H₄₁P₂Ru*F₆P
• 分子量: 913.824
• InChiKey: OMIORAFSFINXKK-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：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
  None
• 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：

  [(η5-C9H7)Ru(C2H4)(PPh3)2]PF6 、 丙酮 以 丙酮 为溶剂， 以94%的产率得到[(η5-C9H7)Ru(O=C(CH3)2)(PPh3)2]PF6
  参考文献：
  名称：

  Synthesis, molecular structure, substitution and C–C coupling reactions of ruthenium complexes containing (η5-C9H7)Ru(PPh3) as a molecular unit

  摘要：

  The 2-methallyl complex [(eta 5-C9H7)Ru(eta(3)-2-MeC3H4)(PPh3)] (3), prepared from [(eta(5)-C9H7)Ru(PPh3)(2)Cl] (2) and 2-MeC3H4MgCl, reacts with HX (X = Cl, CF3CO2) in the presence of ethene to give the chiral-at-metal compounds [(eta(5)- C9H7)Ru(C2H4)(PPh3)X] (4, 5) in nearly quantitative yields. Treatment of 2 with AgPF6 and ethene affords [(eta(5)-C9H7)Ru(C2H4)(PPh3)(2)]PF6 (6), which reacts with acetone to give the substitution product [(eta(5)-C9H7)Ru(OCMe2)(PPh3)(2)]PF6 (7). The molecular structure of 7 has been determined crystallographically. Whereas treatment of 4 with CH(CO2Et)N-2 yields, T12 the olefin complex [(eta(5)-C9H7)Ru{n(2)-(Z)-C2H2(CO2Et)(2)}(PPh3)Cl] (8). the reactions of 4 and 5 with Ph2CN2, PhCHN2 and (Me3Si)CHN2 lead to the formation of the carbeneruthenium(II) derivatives [(eta(5)-C9H7)Ru(=CRR')(PPh3)Cl] (9-11) and [(eta(5)-C9H7)Ru(=CRR')(PPh3)(kappa'-O2CCF3)] (12-14), respectively. Treatment of 9 (R = R'= Ph), 10 (R = H, R'= Ph) and 11 (R = H, R' = SiMe3) with MeLi produces the hydrido(olefin) complexes [(eta(5)-C9H7)RuH(eta(2)-CH2=CPh2)(PPh3)] (15), [(eta(5)- C9H7)RuH(eta(2)-CH2=CHPh)(PPh3)] (18a,b) and [(eta(5)-C9H7)RuH(eta(2)-CH2=CHSiMe3)(PPh3)] (19) via C-C coupling and beta-hydride shift. The analogous reactions of 11 with PhLi gives the eta(3)-benzyl compound [(eta(5)-C9H7)Ru{eta(3)-(Me3Si)CHC6H5}(PPh3)] (20). The eta(3)-allyl complex [(eta(5)-C9H7)Ru(eta(3)-1-PhC3H4)(PPh3)] (17) was prepared from 10 and CH2=CHMgBr by nucleophilic attack. (c) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2004.09.005
• 作为产物：
  描述：

  六氟磷酸银 、 乙烯 、 [(η5-C9H7)Ru(PPh3)2Cl]*1/2CH2Cl2 以 二氯甲烷 为溶剂， 以95%的产率得到[(η5-C9H7)Ru(C2H4)(PPh3)2]PF6
  参考文献：
  名称：

  Synthesis, molecular structure, substitution and C–C coupling reactions of ruthenium complexes containing (η5-C9H7)Ru(PPh3) as a molecular unit

  摘要：

  The 2-methallyl complex [(eta 5-C9H7)Ru(eta(3)-2-MeC3H4)(PPh3)] (3), prepared from [(eta(5)-C9H7)Ru(PPh3)(2)Cl] (2) and 2-MeC3H4MgCl, reacts with HX (X = Cl, CF3CO2) in the presence of ethene to give the chiral-at-metal compounds [(eta(5)- C9H7)Ru(C2H4)(PPh3)X] (4, 5) in nearly quantitative yields. Treatment of 2 with AgPF6 and ethene affords [(eta(5)-C9H7)Ru(C2H4)(PPh3)(2)]PF6 (6), which reacts with acetone to give the substitution product [(eta(5)-C9H7)Ru(OCMe2)(PPh3)(2)]PF6 (7). The molecular structure of 7 has been determined crystallographically. Whereas treatment of 4 with CH(CO2Et)N-2 yields, T12 the olefin complex [(eta(5)-C9H7)Ru{n(2)-(Z)-C2H2(CO2Et)(2)}(PPh3)Cl] (8). the reactions of 4 and 5 with Ph2CN2, PhCHN2 and (Me3Si)CHN2 lead to the formation of the carbeneruthenium(II) derivatives [(eta(5)-C9H7)Ru(=CRR')(PPh3)Cl] (9-11) and [(eta(5)-C9H7)Ru(=CRR')(PPh3)(kappa'-O2CCF3)] (12-14), respectively. Treatment of 9 (R = R'= Ph), 10 (R = H, R'= Ph) and 11 (R = H, R' = SiMe3) with MeLi produces the hydrido(olefin) complexes [(eta(5)-C9H7)RuH(eta(2)-CH2=CPh2)(PPh3)] (15), [(eta(5)- C9H7)RuH(eta(2)-CH2=CHPh)(PPh3)] (18a,b) and [(eta(5)-C9H7)RuH(eta(2)-CH2=CHSiMe3)(PPh3)] (19) via C-C coupling and beta-hydride shift. The analogous reactions of 11 with PhLi gives the eta(3)-benzyl compound [(eta(5)-C9H7)Ru{eta(3)-(Me3Si)CHC6H5}(PPh3)] (20). The eta(3)-allyl complex [(eta(5)-C9H7)Ru(eta(3)-1-PhC3H4)(PPh3)] (17) was prepared from 10 and CH2=CHMgBr by nucleophilic attack. (c) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2004.09.005