[((eta.(5)-1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)nickel)](μ-η(3):η(1)-syn,anti-but-2-en-1,4-diyl)[(triethylphosphine)(η(5)-1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)nickel] | 236430-58-3

• 英文名称: [((eta.(5)-1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)nickel)](μ-η(3):η(1)-syn,anti-but-2-en-1,4-diyl)[(triethylphosphine)(η(5)-1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)nickel]
• CAS: 236430-58-3；236430-57-2
• 化学式: C₃₀H₅₁Ni₂P
• 分子量: 560.089
• InChiKey: KASUGWSQZPGHCT-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：
  None

反应信息

• 作为产物：
  描述：

  {(η2,η2-1,3-butadiene)bis(C5(CH3)5Ni)} 、 三乙基膦 以 氘代四氢呋喃 为溶剂， 生成 [((eta.(5)-1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)nickel)](μ-η(3):η(1)-syn,anti-but-2-en-1,4-diyl)[(triethylphosphine)(η(5)-1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)nickel] 、 [((eta.(5)-1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)nickel)](μ-η(3):η(1)-syn,anti-but-2-en-1,4-diyl)[(triethylphosphine)(η(5)-1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)nickel]
  参考文献：
  名称：

  Synthese, Struktur und Reaktivität zweikerniger Pentamethyl-Cyclopentadien-Nickelkomplexe mit verbrückenden Butadienliganden

  摘要：

  [{(eta(5)-Me5Cp)Ni}(2)(mu-eta(2):eta(2)-C4H6)] 3 was obtained from [(eta(5)-Me5Cp)Ni(acac)] 1 and magnesiumbutadiene. The crystal structure of 3 was determined by X-ray diffraction and displays an elongated Ni-Ni bond compared with the Ni-Ni bonded dimer [{(eta(5)-Cp)NiPEt3}(2)] 4 containing an unbridged Ni-Ni bond. Compound 3 contains the butadiene ligand in a nonplanar s-trans arrangement bridging two (eta(5)-Me5Cp)Ni-fragments. In situ NMR experiments show that: (a) reaction of 3 with diphenylethyne gives [{(eta(5)-Me5Cp)Ni}(2)(mu-C2Ph2)] 5 by displacement of butadiene and (b) reaction of 3 with triethylphosphine gives a mixture of [{(eta(5)-Me5CpNi} (mu-eta(3):eta(1)-syn-C4H6)[(eta(5)-Me5Cp)Ni(PEt3)] 9a and [{(eta(5)-Me5Cp)Ni} (mu-eta(3):eta(1)-anti-C4H6)(eta(5)-Me5Cp)Ni(PEt3)] 9b. Compounds 5, 9a and 9b are accessible on a preparative scale via a one pot reaction of 1 with magnesium butadiene in the presence of either tolane, or PEt3. The molecular structure of 9a was determined by X-ray diffraction.

  DOI：

  10.1016/s0022-328x(99)00034-0