[IrH(SiEt3)(1,5-cyclooctadiene)(η(2)-(i)Pr2PCH2CH2OMe)][BF4] | 163122-53-0

• 英文名称: [IrH(SiEt3)(1,5-cyclooctadiene)(η(2)-(i)Pr2PCH2CH2OMe)][BF4]
• CAS: 163122-53-0
• 化学式: BF₄*C₂₃H₄₉IrOPSi
• 分子量: 679.725
• InChiKey: SGVKOOFZNGEIBD-NSNKXZTFSA-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：

  三乙基硅烷 、 [Ir(1,5-cyclooctadiene)(η(2)-(i)Pr2PCH2CH2OMe)][BF4] 以 氘代氯仿 为溶剂， 生成 [IrH(SiEt3)(1,5-cyclooctadiene)(η(2)-(i)Pr2PCH2CH2OMe)][BF4]
  参考文献：
  名称：

  Hydrosilylation of phenylacetylene catalyzed by [Ir(COD)(η2-iPr2PCH2CH2OMe)][BF4]

  摘要：

  In the presence of the complexes [Ir(diolefin)(eta(2)-(i)Pr(2)PCH(2)CH(2)NMe(2))][BF4] (diolefin = 1,5-cyclooctadiene (COD) (1) or tetrafluorobenzobarrelene (TFB) (2)) and [Ir(diolefin)(eta(2)-(Pr2PCH2CH)-Pr-i(2)OMe)][BF4] (diolefin = COD (3) or TFB (4)), phenylacetylene undergoes reaction with triethylsilane. In all experiments carried out PhCH=CH2, PhC=CSiEt(3), cis-PhCH=CH(SiEt(3)), trans-PhCH=CH(SiEt(3)) and Ph(SiEt(3))C=CH2 were obtained. An investigation in detail for the catalyst 3 suggests that, under catalytic conditions, the complexes [IrH(C(2)Ph)(COD)(eta(2)-(i)Pr(2)PCH(2)CH(2)OMe)]BF4 (5) and [IrH(SiEt(3))(COD)(eta(2)-(i)Pr(2)PCH(2)CH(2)OMe)]BF4 (6) are formed. Complex 5 is the key intermediate for the formation of PhC=CSiEt(3), while 6 is the species leading to cis-PhCH=CH(SiEt(3)). The isomer trans-PhCH=CH(SiEt(3)) is formed by isomerization of cis-PhCH=CH(SiEt(3)). The mechanisms of formation of these compounds are discussed.

  DOI：

  10.1016/0022-328x(94)05110-w