CpMo(P(OMe3))2(η2-(4e)PCtBu)(B(C6F5)4) | 450373-50-9

• 英文名称: CpMo(P(OMe3))2(η2-(4e)PCtBu)(B(C6F5)4)
• CAS: 450373-50-9
• 化学式: C₁₆H₃₂MoO₆P₃*C₂₄BF₂₀
• 分子量: 1188.33
• InChiKey: FCLRBVKRIPFHAD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
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• 环数：
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• 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：

  CpMo(P(OMe3))2(η2-(4e)PCtBu)(B(C6F5)4) 、 2,2-二甲基丙基次基膦 以 二氯甲烷 为溶剂， 生成 CpMo(P(OMe)3)2(η4-1,3-P2C2tBu2)B(C6F5)4
  参考文献：
  名称：

  Synthesis, Reactivity, and Theoretical Studies of the η²(4e)-Bonded Phosphaalkyne Complex [CpMo{P(OMe)₃}₂{η²(4e)-P⋮CBu^t}][B(C₆F₅)₄] and the Molybdenum-Mediated Cyclocotrimerization of Alkyne and Phosphaalkyne Ligands

  摘要：

  Whereas the cations [CpMo{P(OMe)(3)}(2){eta(2)(4e)-alkyne}](+) do not react with alkynes or P=CBut, the newly synthesized isostructural phosphaalkyne complex [CpMo{P(OMe)(3)}(2){eta(2)(4e)-P=CBut}][B(C6F5)(4)], which is unreactive towards PhC2Ph, readily reacts via an associative stepwise process with P=CBut to give [CpMo{P(OMe)(3)}(2){eta(4)-1,3-P2C2Bu2t}][B(C6F5)(4)]. A further interesting difference in alkyne and phosphaalkyne chemistry was observed when it was found that CpMoCl(CO){eta(2)(4e)-PhC2Ph} reacts with TlPF6 and P=CBut to give the unusual 16-electron cyclocotrimerization product [CpMo{=C(Bu-t)PC(Bu-t)=PC(Ph)=C(Ph)}(CO)][PF6], identified by single-crystal X-ray crystallography.

  DOI：

  10.1021/om020169g
• 作为产物：
  描述：

  [(η5-C5H5)Mo(P(OMe)3)2(η2-(=CPhCHPh))] 、 2,2-二甲基丙基次基膦 、 N,N-二甲基苯铵四(五氟苯基)硼酸盐 以 二氯甲烷 为溶剂， 以86%的产率得到CpMo(P(OMe3))2(η2-(4e)PCtBu)(B(C6F5)4)
  参考文献：
  名称：

  Synthesis, Reactivity, and Theoretical Studies of the η²(4e)-Bonded Phosphaalkyne Complex [CpMo{P(OMe)₃}₂{η²(4e)-P⋮CBu^t}][B(C₆F₅)₄] and the Molybdenum-Mediated Cyclocotrimerization of Alkyne and Phosphaalkyne Ligands

  摘要：

  Whereas the cations [CpMo{P(OMe)(3)}(2){eta(2)(4e)-alkyne}](+) do not react with alkynes or P=CBut, the newly synthesized isostructural phosphaalkyne complex [CpMo{P(OMe)(3)}(2){eta(2)(4e)-P=CBut}][B(C6F5)(4)], which is unreactive towards PhC2Ph, readily reacts via an associative stepwise process with P=CBut to give [CpMo{P(OMe)(3)}(2){eta(4)-1,3-P2C2Bu2t}][B(C6F5)(4)]. A further interesting difference in alkyne and phosphaalkyne chemistry was observed when it was found that CpMoCl(CO){eta(2)(4e)-PhC2Ph} reacts with TlPF6 and P=CBut to give the unusual 16-electron cyclocotrimerization product [CpMo{=C(Bu-t)PC(Bu-t)=PC(Ph)=C(Ph)}(CO)][PF6], identified by single-crystal X-ray crystallography.

  DOI：

  10.1021/om020169g