[Ru(η(5)-C5H5)(CCH=C(OEt)(Me)OC=CPh2)(CO)(PiPr3)] | 216588-98-6

• 英文名称: [Ru(η(5)-C5H5)(CCH=C(OEt)(Me)OC=CPh2)(CO)(PiPr3)]
• CAS: 216588-98-6
• 化学式: C₃₅H₄₅O₃PRu
• 分子量: 645.784
• InChiKey: HJSSSRZLCVDZOV-UHFFFAOYSA-N

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

• 作为反应物：
  描述：

  tetrafluoroboric acid 、 [Ru(η(5)-C5H5)(CCH=C(OEt)(Me)OC=CPh2)(CO)(PiPr3)] 以 乙醚 为溶剂， 以92%的产率得到[Ru(η(5)-C5H5)(=CCH=C(CH3)OC=CPh2)(CO)(PiPr3)]BF4
  参考文献：
  名称：

  Addition of Ethyl Diazoacetate to the Allenylidene Ligand of [Ru(η⁵-C₅H₅)(CCCPh₂)(CO)(PPrⁱ₃)]BF₄:  Synthesis of Ruthenium Organometallic Compounds Containing New Cyclic Unsaturated η¹-Carbon Ligands

  摘要：

  The allenylidene complex [Ru(eta(5)-C5H5)(C=C=CPh2)(CO)(PPr3i)]BF4 (1) reacts with ethyl diazoacetate to give the cyclic carbene derivative [Ru(eta(5)-C5H5){=CCH=C(OEt)OC=CPh2}(CO)(PPr3i)]BF4 (2). The structure of 2 was determined by an X-ray investigation, revealing a Ru-C distance of 2.017(6) Angstrom. Treatment of 2 with sodium methoxide and methyllithium gives rise to the derivatives Ru(eta(5)-C5H5){C=CHC(R)(OEt)OC=CPh2}(CO)(PPr3i) (R = OMe (3), Me (4)). When a tetrahydrofuran solution of 3 is passed through an Al2O3 column, the lactonyl complex Ru(eta(5)-C5H5){C=CHC(O)OC=CPh2}(CO)(PPr3i) (5) is obtained. Complex 3 reacts with HBF4. OEt2 to regenerate 2 by selective elimination of methanol. The protonation of 4 with HBF4. OEt2 produces the elimination of ethanol and the formation: of [Ru(eta(5)-C5H5){=CCH=C(CH3)OC=CPh2}(CO)(PPr3i)]BF4 (6). The structure of 6 was also determined by an X-ray investigation, revealing a Ru-C distance of 2.010(6) Angstrom. The related cyclic carbene compound [Ru(eta(5)-C5H5){=CCH=C(OH)OC=CPh2}(CO)(PPr3i)]BF4 (7) has been prepared by reaction of 5 with HBF4. OEt2.

  DOI：

  10.1021/om980476f
• 作为产物：
  描述：

  [Ru(η(5)-C5H5)(=CCH=C(OEt)OC=CPh2)(CO)(PiPr3)]BF4 、 甲基锂 以 四氢呋喃 、 乙醚 为溶剂， 以56%的产率得到[Ru(η(5)-C5H5)(CCH=C(OEt)(Me)OC=CPh2)(CO)(PiPr3)]
  参考文献：
  名称：

  Addition of Ethyl Diazoacetate to the Allenylidene Ligand of [Ru(η⁵-C₅H₅)(CCCPh₂)(CO)(PPrⁱ₃)]BF₄:  Synthesis of Ruthenium Organometallic Compounds Containing New Cyclic Unsaturated η¹-Carbon Ligands

  摘要：

  The allenylidene complex [Ru(eta(5)-C5H5)(C=C=CPh2)(CO)(PPr3i)]BF4 (1) reacts with ethyl diazoacetate to give the cyclic carbene derivative [Ru(eta(5)-C5H5){=CCH=C(OEt)OC=CPh2}(CO)(PPr3i)]BF4 (2). The structure of 2 was determined by an X-ray investigation, revealing a Ru-C distance of 2.017(6) Angstrom. Treatment of 2 with sodium methoxide and methyllithium gives rise to the derivatives Ru(eta(5)-C5H5){C=CHC(R)(OEt)OC=CPh2}(CO)(PPr3i) (R = OMe (3), Me (4)). When a tetrahydrofuran solution of 3 is passed through an Al2O3 column, the lactonyl complex Ru(eta(5)-C5H5){C=CHC(O)OC=CPh2}(CO)(PPr3i) (5) is obtained. Complex 3 reacts with HBF4. OEt2 to regenerate 2 by selective elimination of methanol. The protonation of 4 with HBF4. OEt2 produces the elimination of ethanol and the formation: of [Ru(eta(5)-C5H5){=CCH=C(CH3)OC=CPh2}(CO)(PPr3i)]BF4 (6). The structure of 6 was also determined by an X-ray investigation, revealing a Ru-C distance of 2.010(6) Angstrom. The related cyclic carbene compound [Ru(eta(5)-C5H5){=CCH=C(OH)OC=CPh2}(CO)(PPr3i)]BF4 (7) has been prepared by reaction of 5 with HBF4. OEt2.

  DOI：

  10.1021/om980476f