| 149671-08-9

• CAS: 149671-08-9
• 化学式: C₃₆H₅₆F₄IrPSi
• 分子量: 816.114
• InChiKey: VVKFKJGXSXZYBH-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：

  三乙基硅烷 、 以 氘代苯 为溶剂， 生成
  参考文献：
  名称：

  Reactions of the Square-Planar Compounds Ir(C₂Ph)L₂(PCy₃) (L₂ = 2 CO, TFB) with HSiR₃ (R = Et, Ph) and H_x+1SiPh_3-x (x = 1, 2):  Stoichiometric and Catalytic Formation of Si−C Bonds

  摘要：

  The square-planar cis-dicarbonyl complex Ir(C(2)Ph)(CO)(2)(PCy(3)) (1) reacts with ca. 1 equiv of HSiR(3) to give, in quantitative yield, the corresponding alkynyl-hydrido-silyl derivatives Ir(C(2)Ph)(H)(SiR(3))(Co)(2)(PCy(3)) (SiR(3) = SiEt(3) (2), SiPh(3) (3), SiHPh(2) (4), and SiH(2)Ph(5)). The reactivity of the related tetrafluorobenzobarrelene compound Ir(C(2)Ph)(TFB)(PCy(3)) (6) toward HSiR(3) has been also studied by NMR spectroscopy. The addition of ca. 2 equiv of HSiEt(3) to a benzene-d(6) solution of 6 affords IrH2(SiEt(3))(TFB)(PCy(3)) (7) and PhC=CSiEt(3) in a 1:1 molar ratio, while the reaction of 6 with ca. 1 equiv of HSiPh(3) yields, after 1 h and 30 min, IrH2(SiPh(3))(TFB)(PCy,)(10, 8%), Ir{C(SiPh(3))=CHPh}(TFB)(PCy(3)) (11, 52%), and PhC=CSiPh(3) (8%). The addition of ca. 1 equiv of H(2)SiPh(2) to a benzene-d(6) solution of 6 leads, after 1 h, to IrH2{Si(C(2)Ph)Ph(2)}(TFB)(PCy(3)) (12) in 90% yield. The alkynyl compounds 1 and 6 have been found to be active catalysts for the addition of triethylsilane to phenylacetylene. In all experiments, PhCH=CH2, PhC=CSiEt(3), cis-PhCH=CH(SiEt(3)), trans-PhCH=CH(SiEt(3)), and Ph(SiEt(3))C=CH2 were obtained. On the basis of the results from the stoichiometric reactions together those from the catalytic experiments, reaction pathways for the formation of these silylate products are discussed.

  DOI：

  10.1021/om950527y