(η(5)-C5H5)Ru(PPh3)2(CCCOOMe) | 63685-81-4

• 英文名称: (η(5)-C5H5)Ru(PPh3)2(CCCOOMe)
• 英文别名: [Ru(C.tplbond.CCO2Me)(PPh3)2(η-C5H5)]
• CAS: 63685-81-4
• 化学式: C₄₅H₃₈O₂P₂Ru
• 分子量: 773.813
• InChiKey: XJAVCCSIRRRXRS-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：
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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：

  (η(5)-C5H5)Ru(PPh3)2(CCCOOMe) 、 trifluoroborane diethyl ether 在 p-BQ 作用下， 以 二氯甲烷 为溶剂， 以70%的产率得到
  参考文献：
  名称：

  Novel Structural Rearrangements Induced by Metal−Metal Interactions in Ruthenium(II) Ruthenocenyl- and (Pentamethylruthenocenyl)acetylide Complexes, RcC⋮CRuL₂(η⁵-C₅R₅) and Rc‘C⋮CRuL₂(η⁵-C₅R₅) [Rc = Ruthenocenyl, Rc‘ = Pentamethylruthenocenyl, L₂ = 2PPh₃ or Ph₂PCH₂CH₂PPh₂ (dppe), R = H or Me]

  摘要：

  The reaction of RcC=CH [Rc = (eta(5)-C5H5)Ru(eta(5)-C5H4)] with RuClL2(eta(5)-C5R5) [R = H or Me; L-2 = 2PPh(3) or Ph2PCH2CH2PPh2 (dppe)] in the presence of NH4PF6 and subsequent treatment with base gave Ru(II) ruthenocenylacetylide complexes RcC=CRuL2(eta(5)-C5R5) in good yields. In a similar manner, the pentamethylruthenocene analogues, Rc'C=CRuL2(eta(5)-C5R5) [Rc' = (eta(5)-C5Me5)Ru(eta(5)-C5H4)], were also prepared. Cyclic voltammograms of the complexes showed two reversible one-electron-oxidation processes, consisting of the processes [Ru(II)Ru'(II)] to [Ru(III)Ru'(II)] and then to [Ru(III)Ru(III)]. Chemical oxidation of the complexes induced novel structural rearrangement. The two-electron oxidation of complex RcC=CRu(PPh3)(2)(eta(5)-C5H5) afforded a kind of allenylidene complex, a cyclopentadienylidenethylidene complex, [(eta(5)-C5H5)Ru{mu-eta(6):eta(1)-C5H4C=C}Ru(PPh3)(2)(eta(5)-C5H5)](2+), in 90% yield. The one-electron oxidation of Rc'C=CRu(PPh3)(2)(eta(5)-C5H5) gave the vinylidene complex (Rc'CH=C)Ru(PPh3)(2)(eta(5)-C5H5) in 62% yield, while the two-electron oxidation led to the fulvene-vinylidene complex [(eta(6)-C5Me4CH2)Ru{mu-eta(5):eta(1)-C5H4CH=C}Ru(PPh3)(2)(eta(5)-C5R5)](2+) by an intramolecular hydrogen transfer in 59% yield.

  DOI：

  10.1021/om960732t
• 作为产物：
  描述：

  [(cyclopentadienyl)(ruthenium)H(PPh3)2] 、 丙炔酸甲酯 以 乙二醇二甲醚 为溶剂， 以6%的产率得到[Ru(CH:C(CO2Me)C(CO2Me):C:CMe(CO2Me))(PPh3)(η-C5H5)]
  参考文献：
  名称：

  Cyclopentadienylruthenium phosphine complexes. Part 3. Some complexes derived from 1-alkynes: molecular and crystal structure of the cumulene derivative [Ru{C(CF₃):C(H)C(CF₃):C:C:CH(CF₃)}(PPh₃)(η-C₅H₅)]

  摘要：

  DOI：

  10.1039/dt9770000621

文献信息

• Cyclopentadienyl-ruthenium and -osmium chemistry
  作者：Michael I. Bruce、D. Neil Duffy、Mark G. Humphrey、A.Geoffrey Swincer

  DOI：10.1016/0022-328x(85)87197-7

  日期：1985.3

  161(4), c 18.714(5) Å, β 90.83(3)°, and Z = 4; 2240 reflections [I > 2.5σ(I)] were refined to R = 0.0388, Rw = 0.0436. Important distances: RuC(vinyl) 2.103(6), RuCO 1.832(7), RuP 2.298(2), CC(vinyl) 1.335(8), COMe 1.381(7) Å. Addition of NaOMe to the product of the reaction between RuCl(PPh3)2(η-C5H5) and HCCC(O)Me in MeOH afforded a mixture of Ru;CCC(O)Me};(PPh3)(η-C5H5) and Ru;C(OMe)CH

  含钌（L）（PPH几个阳离子烷氧基（烷基）卡宾配合物3）（η-C 5 H ^ 5）（L = CO或PPH 3）部分已经被去质子化用NaOMe到相应的乙烯基醚衍生物。通过添加HPF 6使反应逆转。以E和Z异构体的混合物形式获得了许多乙烯基醚配合物。茹的X射线结构; C（OPR 1）CHPh}（CO）（PPH 3）（η-C 5 H ^ 5）表明，它仅获得作为ë异构体，并且所述单元电池含有等于两个对映体的数目。Ru ; C（OPr 1）CHPh};（CO）（PPH 3）（η-C 5 H ^ 5）是单斜晶系，空间群P 2 1 / ç，具有一个10.337（5），b 15.161（4），Ç 18.714（5） ，β90.83（3）°，Z = 4; 将2240个反射[ I >2.5σ（I）]细化为R = 0.0388，R w = 0.0436。重要距离：RuC（乙烯基）2.103（6），RuCO1
• Bruce, Michael I.; Swincer, A. Geoffrey, Australian Journal of Chemistry, 1980, vol. 33, p. 1471 - 1484
  作者：Bruce, Michael I.、Swincer, A. Geoffrey

  DOI：——

  日期：——