trans,cis-[OsCl(η2-H2)(acetonitrile)2(P(i)Pr3)2](1+) | 1122103-72-3

• 英文名称: trans,cis-[OsCl(η2-H2)(acetonitrile)2(P(i)Pr3)2](1+)
• CAS: 1122103-72-3；1123890-15-2
• 化学式: C₂₂H₅₀ClN₂OsP₂
• 分子量: 630.253
• InChiKey: JUCRLIQBTGTOPV-UHFFFAOYSA-M

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：

  bis(triisopropylphosphane)(dihydrido)dichloroosmium(IV) 、 乙腈 以 氘代乙腈 为溶剂， 生成 trans,trans-OsCl2(η2-H2)(acetonitrile)(P(i)Pr3)2 、 trans,trans-OsCl2(η2-H2)(acetonitrile)(P(i)Pr3)2 、 trans,cis-[OsCl(η2-H2)(acetonitrile)2(P(i)Pr3)2](1+)
  参考文献：
  名称：

  Behavior of OsH₂Cl₂(PⁱPr₃)₂ in Acetonitrile: The Importance of the Small Details

  摘要：

  The behavior of OsH2Cl2((PPr3)-Pr-i)(2) (1) in acetonitrile as solvent is studied. Acetonitrile coordinates to the metal center of 1 and promotes the dihydride-dihydrogen transformation of its OsH2 unit to give the trans-Cl-2 compound OsCl2(eta(2)-H-2)(CH3CN)((PPr3)-Pr-i)(2) (2a), which evolves to its cis-Cl-2 isomer 2b. Treatment of 1 with TlPF6 in acetonitrile leads to the PF6 salt of the cis-bis(acetonitrile) cation [OsCl(eta(2)-H-2)(CH3CN)(2)((PPr3)-Pr-i)(2)](+) (3a), which is transformed into its trans-bis(acetonitrile) isomer 3b. The addition of Et3N to the PF6 salts of 3a,b in acetonitrile gives [OsH(CH3CN)(3)((PPr3)-Pr-i)(2)]PF6 (4). Reaction of 4 with 1,5-cyclooctadiene (COD) in refluxing toluene affords [OsH(COD)(CH3CN)(2)((PPr3)-Pr-i)]PF6 (5). The X-ray structures of 3b and 5 are also reported.

  DOI：

  10.1021/om801057z