[Ru2(CO)(NCMe)(μ-CO)(μ-η1:η2-C(H)=C=C(Ph)CH3)(C5H5)2]BF4 | 952294-42-7

• 英文名称: [Ru2(CO)(NCMe)(μ-CO)(μ-η1:η2-C(H)=C=C(Ph)CH3)(C5H5)2]BF4
• CAS: 952294-42-7
• 化学式: BF₄*C₂₄H₂₂NO₂Ru₂
• 分子量: 645.389
• InChiKey: CYVQLSWIMZADOI-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：
  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(CO)(NCMe)(μ-CO)(μ-η1:η2-C(H)=C=C(Ph)CH3)(C5H5)2]BF4 、 potassium iodide 以 四氢呋喃 为溶剂， 以89%的产率得到[Ru2(CO)I(μ-CO)(μ-η1:η2-C(H)=C=C(Ph)CH3)(C5H5)2]
  参考文献：
  名称：

  Additions and intramolecular migrations of nucleophiles in cationic diruthenium μ-allenyl complexes

  摘要：

  The diruthenium mu-allenyl complex [Ru-2(CO)(NCMe)([mu-CO)[mu-eta(1):eta(2)-C(H)=C=C(Me)(Ph)}(CP)(2)][BF4], 3b, reacts with halide anions to yield the neutral derivatives [Ru-2(CO)(2)(X) {mu-eta(1):eta(2)-C(H)=C=C(Me)(Ph)} (CP)(2)] [X = Cl, 4b; X = Br, 4c; X = 1, 4d]. Complex 4b undergoes isomerization to the unprecedented bridging vinyl-chlorocarbene species [Ru-2(CO)(mu-CO){mu-eta(1):eta(3)-C(Cl)C(H)= C(Me)(Ph))(CP)21, 10, upon filtration of a CH2Cl2 solution through an alumina column.Complex 3b reacts with an excess of NaBH4 to give five products: the allene complex [Ru-2(CO)(mu-H){mu-eta(2):eta(2)-CH2=C= C(Me)(Ph))(CP)(2)], 5; the hydride species trans-[Ru-2(CO)(2)(mu-H){mu-eta(1):eta(2)-CH=C=C(Me)(Ph)1(CP)2], 6, and cis-[Ru-2(CO)(2)(mu-H){mu- eta(1):eta(2) -CH=C=C(Me)(Ph)}1(CP)(2)], 8; the vinyl-alkylidene [Ru-2(CO)(mu-CO){mu-eta(1):eta(3)-C(H)C(H)=C(NIe)(Ph)}(CP)21, 9; and the cluster [Ru-3(CO)(3)(mu-H)(3)(Cp)(3)], 7.Studies on the thermal stabilities of 5, 6, 8 and 9 have suggested a plausible mechanism for the formation of these complexes and for the synthesis of 10. (c) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2007.06.029
• 作为产物：
  描述：

  [Ru2(CO)2(μ-CO)(μ-η1:η2-C(H)=C=C(Ph)CH3)(C5H5)2]BF4 、 乙腈 在 十二/十四烷基二甲基氧化胺 作用下， 以 二氯甲烷 为溶剂， 生成 [Ru2(CO)(NCMe)(μ-CO)(μ-η1:η2-C(H)=C=C(Ph)CH3)(C5H5)2]BF4
  参考文献：
  名称：

  Additions and intramolecular migrations of nucleophiles in cationic diruthenium μ-allenyl complexes

  摘要：

  The diruthenium mu-allenyl complex [Ru-2(CO)(NCMe)([mu-CO)[mu-eta(1):eta(2)-C(H)=C=C(Me)(Ph)}(CP)(2)][BF4], 3b, reacts with halide anions to yield the neutral derivatives [Ru-2(CO)(2)(X) {mu-eta(1):eta(2)-C(H)=C=C(Me)(Ph)} (CP)(2)] [X = Cl, 4b; X = Br, 4c; X = 1, 4d]. Complex 4b undergoes isomerization to the unprecedented bridging vinyl-chlorocarbene species [Ru-2(CO)(mu-CO){mu-eta(1):eta(3)-C(Cl)C(H)= C(Me)(Ph))(CP)21, 10, upon filtration of a CH2Cl2 solution through an alumina column.Complex 3b reacts with an excess of NaBH4 to give five products: the allene complex [Ru-2(CO)(mu-H){mu-eta(2):eta(2)-CH2=C= C(Me)(Ph))(CP)(2)], 5; the hydride species trans-[Ru-2(CO)(2)(mu-H){mu-eta(1):eta(2)-CH=C=C(Me)(Ph)1(CP)2], 6, and cis-[Ru-2(CO)(2)(mu-H){mu- eta(1):eta(2) -CH=C=C(Me)(Ph)}1(CP)(2)], 8; the vinyl-alkylidene [Ru-2(CO)(mu-CO){mu-eta(1):eta(3)-C(H)C(H)=C(NIe)(Ph)}(CP)21, 9; and the cluster [Ru-3(CO)(3)(mu-H)(3)(Cp)(3)], 7.Studies on the thermal stabilities of 5, 6, 8 and 9 have suggested a plausible mechanism for the formation of these complexes and for the synthesis of 10. (c) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2007.06.029