[OsH(η5-C5H5)(CCH2Ph)(CH(CH3)2)](BF4) | 438588-75-1

• 英文名称: [OsH(η5-C5H5)(CCH2Ph)(CH(CH3)2)](BF4)
• CAS: 438588-75-1
• 化学式: BF₄*C₂₂H₃₄OsP
• 分子量: 606.49
• InChiKey: YJZWZVDUPYIIMA-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

• 作为反应物：
  描述：

  [OsH(η5-C5H5)(CCH2Ph)(CH(CH3)2)](BF4) 在 KBr 作用下， 以 四氢呋喃 为溶剂， 以57%的产率得到[OsBr(η5-C5H5)(η2-CH2CHPh)(CH(CH3)2)]
  参考文献：
  名称：

  Lewis Base-Assisted Hydride-Carbyne to Olefin Transformation versus Carbene Formation

  摘要：

  Complex [OsH(eta(5)-C5H6)( dropC-CH2Ph)((PPr3)-Pr-i)BF4 (1) reacts with KBr in tetrahydrofuran to give the a pi CH2=CHPh)(PiPr3), -olefin derivative OsBr(eta(5)-C5H5)(eta(2)-CH2=CHPh)(PPr3)-Pr-i) which has been characterized by X-ray diffraction analysis. Similarly, the reaction of [OsH(eta5-C5H5)( dropC-CD2-Ph)((PPr3)-Pr-i)]BF4 (1-d2) with KBr leads to the pi-dideuterated-olefin complex. On the basis of the deuterium distribution in this complex and the previously reported P(OMe)(3)-assisted hydride-carbyne to carbene transformation, the mechanism of the Br-assisted hydride-carbyne to olefin transformation is discussed.

  DOI：

  10.1021/om020546p
• 作为产物：
  描述：

  四氟硼酸-二乙醚络合物 、 [OsH(η5-C5H5)(SiPh3)(P(CH(CH3)2)3)(CCPh)] 以 乙醚 为溶剂， 以90%的产率得到[OsH(η5-C5H5)(CCH2Ph)(CH(CH3)2)](BF4)
  参考文献：
  名称：

  Hydride−Carbyne to Carbene Transformation in a Cyclopentadienyl−Osmium Complex:  An Alternative to the Single Hydride−C_α Migration

  摘要：

  Complexes OsH(eta(5)-C5H5)(Cequivalent toCPh)(EPh3)-((PPr3)-Pr-i) [E = Si (1), Ge (2)] react with 2.0 equiv of HBF4.OEt2 to give [OsH(eta(5)-C5H5)(equivalent toC-CH2Ph)((PPr3)-Pr-i)]-BF4 (3). Treatment of 3 with KOH affords OsH(eta(5)-C5H5)(=C=CHPh)((PPr3)-Pr-i) (5) in equilibrium with the metalated species OsH(eta(5)-C5H5)(o-C6H4CH=CH)((PPr3)-Pr-i) (7) (DeltaHdegrees = -3.6 +/- 0.2 kcal mol(-1) and DeltaSdegrees = -10.8 +/- 1.9 cal K-1 mol(-1) for the formation of 7). The addition of P(OMe)3 to the solution of the isomeric mixture leads to Os(eta(5)-C5H5{(E)-CH=CHPh}{P(OMe)(3)}((PPr3)-Pr-i) (8), which reacts with HBF4.OEt2 to give [Os(eta(5)-C5H5(=CHCH2Ph){P(OMe)(3)}((PPr3)-Pr-i)]BF4 (4).

  DOI：

  10.1021/om011077e