[(1,2-bis(dicyclohexylphosphino)ethane)Ni(η3-methylallyl)(CN)] | 934408-77-2

• 英文名称: [(1,2-bis(dicyclohexylphosphino)ethane)Ni(η3-methylallyl)(CN)]
• CAS: 934408-77-2
• 化学式: C₃₁H₅₅NNiP₂
• 分子量: 562.422
• InChiKey: VSQJRDBYHJDSIB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 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

• 作为产物：
  描述：

  Ni(1,5-cyclooctadiene)(1,2-bis(dicyclohexylphosphino)ethane) 、 2-甲基-3-丁烯腈 以 氘代甲苯 为溶剂， 生成 [(1,2-bis(dicyclohexylphosphino)ethane)Ni(η3-methylallyl)(CN)] 、 [(1,2-bis(dicyclohexylphosphino)ethane)Ni(η2-C,C-trans-3-pentenenitrile)] 、 [(1,2-bis(dicyclohexylphosphino)ethane)Ni(CN)2]
  参考文献：
  名称：

  Nickel Complexes Involved in the Isomerization of 2-Methyl-3-butenenitrile

  摘要：

  The nickel(0) fragment [(P-P)Ni], where (P-P) = dcype (1,2-bis(dicyclohexylphosphino)ethane) or dtbpe (1,2-bis(di-tert-butylphosphino)ethane), reacts with the cyano-olefins involved in the isomerization process of 2-methyl-3-butenenitrile (2M3BN), producing the corresponding complex [(P-P)Ni(eta(2)-C,C-cyano-olefin)]. In the case of 2M3BN and 3-pentenenitrile (3PN), the pi-methylallyl metal complex was observed in solution. All of the intermediates in the catalytic cycle were detected and characterized by heteronuclear NMR spectroscopy; some of these were also characterized by single-crystal X-ray diffraction studies. The initial catalytic behavior of this system for the isomerization of 2M3BN was studied also.

  DOI：

  10.1021/om061037g