[Ni(η(3)-C3H5)(((C6H5)2PCH2CH2)2PC6H5)][B(C6H5)4] | 349648-84-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [Ni(η(3)-C3H5)(((C6H5)2PCH2CH2)2PC6H5)][B(C6H5)4]
• 英文别名: bis(2-diphenylphosphanylethyl)-phenylphosphane;nickel(2+);prop-1-ene;tetraphenylboranuide
• CAS: 349648-84-6
• 化学式: C₂₄H₂₀B*C₃₇H₃₈NiP₃
• 分子量: 953.554
• InChiKey: FYBASNPLLBDALL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.13
• 重原子数：
  66
• 可旋转键数：
  9
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,6-lutidinium tetraphenylborate 、 [Ni(η(3)-C3H5)(((C6H5)2PCH2CH2)2PC6H5)][B(C6H5)4] 以 乙腈 为溶剂， 生成 [Ni(η(3)-C3H6)(((C6H5)2PCH2CH2)2PC6H5)][B(C6H5)4](1+)
  参考文献：
  名称：

  Basicities of Nickel and Allyl in [Ni(η³-C₃H₅)(PhP(CH₂CH₂PPh₂)₂]⁺ and Comparison of the Effects of Allyl and Methyl on the Basicity of Nickel

  摘要：

  Kinetic studies on the reaction between [Ni(eta (3)-C3H5)(triphos)](+) (triphos = {Ph2PCH2CH2}(2)-PPh) and [lutH](+) (lut = 2,6-dimethylpyridine) in MeCN show that initial protonation of the nickel or allyl is followed by equilibration of the proton between the two sites. Analysis of the data allows calculation of the basicities of the nickel and allyl sites. This, together with earlier work on [NiMe(triphos)](+), shows the nickel site is (2.5-79) x 10(6) times more basic when coordinated to allyl than to methyl.

  DOI：

  10.1021/om0100535
• 作为产物：
  描述：

  [bis(2-diphenylphosphinoethyl)phenylphosphine]chloronickel(II) tetraphenylborate 、 烯丙基溴化镁 以 四氢呋喃 为溶剂， 以35%的产率得到[Ni(η(3)-C3H5)(((C6H5)2PCH2CH2)2PC6H5)][B(C6H5)4]
  参考文献：
  名称：

  Basicities of Nickel and Allyl in [Ni(η³-C₃H₅)(PhP(CH₂CH₂PPh₂)₂]⁺ and Comparison of the Effects of Allyl and Methyl on the Basicity of Nickel

  摘要：

  Kinetic studies on the reaction between [Ni(eta (3)-C3H5)(triphos)](+) (triphos = {Ph2PCH2CH2}(2)-PPh) and [lutH](+) (lut = 2,6-dimethylpyridine) in MeCN show that initial protonation of the nickel or allyl is followed by equilibration of the proton between the two sites. Analysis of the data allows calculation of the basicities of the nickel and allyl sites. This, together with earlier work on [NiMe(triphos)](+), shows the nickel site is (2.5-79) x 10(6) times more basic when coordinated to allyl than to methyl.

  DOI：

  10.1021/om0100535