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| 105710-88-1

中文名称
——
中文别名
——
英文名称
——
英文别名
——
化学式
CAS
105710-88-1
化学式
CF3O3S*C42H37P2Ru
mdl
——
分子量
853.844
InChiKey
NTPBRBOGMPQKMK-UHFFFAOYSA-M
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

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

  • 作为产物:
    描述:
    在 H2 作用下, 以 为溶剂, 以91%的产率得到
    参考文献:
    名称:
    Reactions of MH(OTf)(NBD)(PPh3)2 (M = Ru, Os) with H2
    摘要:
    Treatment of RuHCl(NBD)(PPh3)(2) (NBD = norbornadiene) with AgOTf produced RuH(OTf)(NBD)(PPh3)(2). Reaction of RuH(OTf)(NBD)(PPh3)(2) with H-2 in benzene gave norbornene and [(eta (6)-C6H6)RuH(PPh3)(2)]OTf. The same reaction in CD2Cl2 in the presence of added PPh3 produced norbornane and [RuH(PPh3)(4)]OTf. Reaction of OsH3Cl(PPh3)(3) with norbornadiene produced OsHCl(NBD)(PPh3)(2), which was converted to OsH(OTf)(NBD)(PPh3)(2) on treatment with AgOTf. Reaction of OsH(OTf)(NBD)(PPh3)(2) with H-2 in benzene gave norbornane and [(eta (6)-C6H6)OsH(PPh3)(2)]OTf. In dichloromethane, OsH(OTf)(NBD)(PPh3)(2) reacted with H-2 in the presence of added PPh3 to produce norbornane and [OsH3(PPh3)(4)]OTf. Supported by computational studies, it is assumed that; the dihydrogen complexes [MH(H-2)(NBD)(PPh3)(2)](+) (M = Ru, Os) were involved in the hydrogenation reactions. Two reaction pathways for the conversion of [RuH(H-2)(NBD)(PH3)(2)](+) to [RuH(NBE)(PH3)(2)](+) (NBE = norbornene) have been studied by density functional theory calculations. The results show that the first hydrogen transferred to the olefin ligand is more likely from the hydride ligand rather than from the dihydrogen ligand.
    DOI:
    10.1021/om000369x
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文献信息

  • Harding, P. Alexander; Preece, Michael; Robinson, Stephen D., Inorganica Chimica Acta, 1986, vol. 118, p. L31 - L34
    作者:Harding, P. Alexander、Preece, Michael、Robinson, Stephen D.、Henrick, Kim
    DOI:——
    日期:——
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