[Ru(C=C=CPh2)(PPh3)2Cp][PF6] | 220697-78-9

• 英文名称: [Ru(C=C=CPh2)(PPh3)2Cp][PF6]
• 英文别名: [(η5-C5H5)(PPh3)2Ru(=C=C=CPh2)][PF6]；[Cp(PPh3)2Ru=C=C=CPh2][PF6]
• CAS: 220697-78-9
• 化学式: C₅₆H₄₅P₂Ru*F₆P
• 分子量: 1025.95
• InChiKey: KDWYAFJQKAQJFP-UHFFFAOYSA-N

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：

  methyllithium lithium bromide 、 [Ru(C=C=CPh2)(PPh3)2Cp][PF6] 以 四氢呋喃 为溶剂， 以54%的产率得到Ru(C.tplbond.CCMePh2)(PPh3)2Cp
  参考文献：
  名称：

  Some reactions of the ruthenium allenylidene complex [Ru(CCCPh2)(PPh3)2Cp][PF6] with nucleophiles

  摘要：

  Reactions between [Ru(C=C=CPh2)(PPh3)(2)Cp][PF6] and nucleophilic reagents LiMe, NaOMe, KCN and KC5H5 have given the neutral substituted alkynyl-ruthenium complexes Ru{C=CCPh2(Nu)} (PPh3)(2)Cp. The molecular structures of complexes with Nu = OMe. CN and C5H5 have been determined. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(98)00526-9
• 作为产物：
  描述：

  Ru(C.tplbond.CCPh2(OMe))(PPh3)2Cp 以 not given 为溶剂， 生成 [Ru(C=C=CPh2)(PPh3)2Cp][PF6]
  参考文献：
  名称：

  Some reactions of the ruthenium allenylidene complex [Ru(CCCPh2)(PPh3)2Cp][PF6] with nucleophiles

  摘要：

  Reactions between [Ru(C=C=CPh2)(PPh3)(2)Cp][PF6] and nucleophilic reagents LiMe, NaOMe, KCN and KC5H5 have given the neutral substituted alkynyl-ruthenium complexes Ru{C=CCPh2(Nu)} (PPh3)(2)Cp. The molecular structures of complexes with Nu = OMe. CN and C5H5 have been determined. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(98)00526-9

文献信息

• Intramolecular Metathesis of a Vinyl Group with Vinylidene CC Double Bond in Ru Complexes
  作者：Yung-Sheng Yen、Ying-Chih Lin、Shou-Ling Huang、Yi-Hung Liu、Hui-Ling Sung、Yu Wang

  DOI：10.1021/ja054994a

  日期：2005.12.1

  The cationic complex [Ru]=C=CHCPh2CH2CH=CH2}BF4 (3a, [Ru] = (eta5-C5H5)(PPh3)2Ru) in solution transforms to [Ru]=C=CHCH2CPh2CH=CH2}BF4 (4a) via a new metathesis process of the terminal vinyl group with the C=C of the vinylidene group which is confirmed by 13C labeling studies. This transformation is irreversible as revealed by deuteration and decomplexation studies. The cationic complex [Ru]=C=

  溶液中的阳离子络合物[Ru]=C=CHCPh2 CH=CH2}BF4(3a,[Ru]=(eta5-C5H5)(PPh3)2Ru)转化为[Ru]=C=CH CPh2CH= } (4a ) 通过末端乙烯基与亚乙烯基的 C=C 的新易位过程，13C 标记研究证实了这一点。正如氘化和去络合研究所揭示的那样，这种转变是不可逆的。阳离子络合物[Ru]=C=CHCPh2 CMe= } (3b)经过环化过程产生6b，其中含有eta2-环状丙二烯配体，其完全通过单晶X射线衍射分析表征。类似的含有 dppe 配体的配合物 4a' 和 6b' ([Ru] = (eta5- )(dppe)Ru) 类似地从相应的乙炔配合物通过形成亚乙烯基中间体的质子化获得。含有末端炔基 [Ru]-CCCPh2 CCH (2c) 的乙炔络合物的质子化生成亚乙烯基络合物 [Ru]=C=CHCPh2 CCH}
• Cyclization Accompanied with 1,2-Phenyl Migration in the Protonation of Ruthenium Acetylide Complex Containing an Allenyl Group
  作者：Kuo-Hao Chen、Yi Jhen Feng、Hao-Wei Ma、Ying-Chih Lin、Yi-Hong Liu、Ting-Shen Kuo

  DOI：10.1021/om101017p

  日期：2010.12.27

  Reaction of the ruthenium allenylidene complex [Ru]=C=CPh2 (1 [Ru] = Cp(PPh3)(2)Ru) with the propargylic Grignard reagent R C CCH2MgBr (R = CH3 CH2CH3 Ph) yielded a mixture of two acetylide complexes The major products [Ru]C CCPh2C(R)=C=CH2 (2a R = CH3 2b R = CH2CH3 2c R = Ph) have an allenyne moiety and the minor ones [Ru]C CCPh2CH2C CR (3a R = CH3 3h R = CH2CH3 3c R = Ph) have a diyne ligand The reaction of similar propargyl Grignard reagent HC CCH2MgBr with 1 yielded only the diyne complex 3d Treatment of complexes 2a-2c with HBF4 afforded the cyclization complexes 5a-5c respectively proceeding via a vinylidene intermediate The cyclization of the allenyl and the vinylidene groups is accompanied with a phenyl group migration Complex 5b is fully characterized by a single-crystal X ray diffraction analysis Similar cyclization of complexes 2a and 2b catalyzed by a Au phosphine complex gave the ruthenium vinylidene complexes 6a and 6b respectively with different selectivity from that of the protonation reaction Au catalyzed cyclization of the diyne complex 3d yielded 6d which is fully characterized by a single crystal X ray diffraction analysis