Li[(CO)2Ru(C5H4P(OC6H4NMe)2)] | 251319-81-0

• 英文名称: Li[(CO)2Ru(C5H4P(OC6H4NMe)2)]
• CAS: 251319-81-0
• 化学式: C₂₁H₁₈N₂O₄PRu*Li
• 分子量: 501.37
• InChiKey: YVSXKRNDCYWRHK-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：
  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

• 作为反应物：
  描述：

  Li[(CO)2Ru(C5H4P(OC6H4NMe)2)] 、 氯化苄 在 12-crown-4 作用下， 以 四氢呋喃 为溶剂， 生成 (CO)2Ru(C5H4P(OC6H4NMe)2)(benzyl)
  参考文献：
  名称：

  Phosphorane Migration from Ruthenium to the Cyclopentadienyl Ring

  摘要：

  Ruthenium phosphorane complexes, Cp(CO)(2)Ru{P(OC(6)H(4)Z)(2)} (Z = NMe, O), react with lithium diisopropylamide (LDA) to give Li[{eta(5)-C5H4P(OC(6)H(4)Z)(2)}(CO)(2)RU] (5) In this reaction, one of the protons on the Cp ring is abstracted by LDA and then migration of the phosphorane fragment to the Cp ring takes place. Treatment of 5 with RX (CH3I, PhCH2Cl, Ph3SnCl, HOCOCF3, CD3I) yields {eta(5)-C5H4P(OC(6)H(4)Z)(2)}(CO)(2)RuR (2). The structure of one of the products, {eta(5)-C5H4P(OC6H4NMe)(2)}(CO)(2)RuCH2Ph, was determined by X-ray analysis. A reaction of a cationic phosphite complex, [Cp(CO)(2)Ru{P(OC6H4NMe)(OC6H4NMeH)}]BF4 (6), with 2 equiv of LDA also gives 5. However, the following addition of RX at -30 degrees C gives the unexpected phosphorane-migration complex {eta(5)-C5H4P(OC6H4NMe)(2)}(CO)(2)RuR, which contains one O atom and one N atom in apical positions and in equatorial positions as well. The complex gradually isomerizes to a thermally more stable apical oxygen-equatorial nitrogen isomer (2).

  DOI：

  10.1021/om9904145
• 作为产物：
  描述：

  [(η(5)-C5H5)(CO)2Ru(P(OC6H4NMe)(OC6H4NHMe))]BF4 、 lithium diisopropyl amide 以 四氢呋喃 为溶剂， 生成 Li[(CO)2Ru(C5H4P(OC6H4NMe)2)]
  参考文献：
  名称：

  Phosphorane Migration from Ruthenium to the Cyclopentadienyl Ring

  摘要：

  Ruthenium phosphorane complexes, Cp(CO)(2)Ru{P(OC(6)H(4)Z)(2)} (Z = NMe, O), react with lithium diisopropylamide (LDA) to give Li[{eta(5)-C5H4P(OC(6)H(4)Z)(2)}(CO)(2)RU] (5) In this reaction, one of the protons on the Cp ring is abstracted by LDA and then migration of the phosphorane fragment to the Cp ring takes place. Treatment of 5 with RX (CH3I, PhCH2Cl, Ph3SnCl, HOCOCF3, CD3I) yields {eta(5)-C5H4P(OC(6)H(4)Z)(2)}(CO)(2)RuR (2). The structure of one of the products, {eta(5)-C5H4P(OC6H4NMe)(2)}(CO)(2)RuCH2Ph, was determined by X-ray analysis. A reaction of a cationic phosphite complex, [Cp(CO)(2)Ru{P(OC6H4NMe)(OC6H4NMeH)}]BF4 (6), with 2 equiv of LDA also gives 5. However, the following addition of RX at -30 degrees C gives the unexpected phosphorane-migration complex {eta(5)-C5H4P(OC6H4NMe)(2)}(CO)(2)RuR, which contains one O atom and one N atom in apical positions and in equatorial positions as well. The complex gradually isomerizes to a thermally more stable apical oxygen-equatorial nitrogen isomer (2).

  DOI：

  10.1021/om9904145