(η(5)-C5H5)(CO)(i-Pr3P)Ru(Z)-C(H)C(C(C6H5)2)C13H21N2 | 224293-73-6

• 英文名称: (η(5)-C5H5)(CO)(i-Pr3P)Ru(Z)-C(H)C(C(C6H5)2)C13H21N2
• CAS: 224293-73-6
• 化学式: BF₄*C₄₃H₅₈N₂OPRu
• 分子量: 837.795
• InChiKey: JWMQDVNWBOGTLB-UHFFFAOYSA-O

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：

  (η(5)-C5H5)(CO)(i-Pr3P)Ru(Z)-C(H)C(C(C6H5)2)C13H21N2 以 二氯甲烷 为溶剂， 以68%的产率得到(η(5)-C5H5)(CO)(i-Pr3P)Ru(Z)-CH=CCPh2C(CH2)2CN=CNHCy
  参考文献：
  名称：

  Allenylidene Ligand of [Ru(η⁵-C₅H₅)(CCCPh₂)(CO)(PPrⁱ₃)]BF₄ as Entry to Novel Unsaturated η¹-Carbon Ligands Containing Azetidine and Hexahydroquinoline Skeletons

  摘要：

  The allenylidene complex [RU(eta(5)-C5H5)(C=C=CPh2)(CO)(PPr3i)]BF4 (1) reacts with dicyclohexylcarbodiimide to give the iminiumazetidinylidenemethyl complex [RU(eta(5)-C5H5){CH= CCPh2N(Cy)=C=N=C(CH2)(4)CH2}(CO)(PPr3i)]BF4 (2), as a 4:1 mixture of isomers Z (za) and E (2b). The structure of 2a was determined by an X-ray investigation, revealing a Ru-C distance of 2.070(4) Angstrom. Treatment of the isomeric mixture of 2 with sodium methoxide in tetrahydrofuran at room temperature affords the iminoazetidinylidenemethyl complex Ru- (eta(5)-C5H5){(Z)-CH=CCPh2N(Cy)C=NC=CH(CH2)(3)CH2}(CO)(PPr3i) (6), which reacts with HBF4. OEt2 to give [RU(eta(5)-C5H5){(Z)-CH=CCPh2N(Cy)C=N(H)C=CH (CH2)(3)CH2}(CO)(PPr3i)]BF4 (7), as a result of the protonation of the exocyclic nitrogen atom of the unsaturated eta(1)-carbon ligand of 6. In the solid state and in solution at low temperature, complex 7 is stable. However, in solution at room temperature, complex 7 evolves into [Ru(eta(5)-C5H5){(Z)CH=CCPh2C(CH2)(4)CN(H)=CNHCy}(CO)(PPr3i)]BF4(8), which reacts with sodium methoxide in tetrahydrofuran at room temperature to give the hexahydroquinolinylidenemethyl complex Ru(eta(5)-C5H5){(Z)-CH=CCPh2C(CH2)(4)CN=CNHCy}(CO)(PPr3i) (9), as a result of the deprotonation of the endocyclic nitrogen atom of 8. The structure of 9 was also determined by an X-ray investigation, revealing, in this case, a Ru-C distance of 2.113(4) Angstrom. The formation of the azetidine and hexahydroquinoline skeletons of the ligands of these compounds is discussed.

  DOI：

  10.1021/om9809522
• 作为产物：
  描述：

  tetrafluoroboric acid 、 (η(5)-C5H5)(CO)(i-Pr3P)Ru(Z)-C(H)C(C(C6H5)2)C13H20N2 以 乙醚 为溶剂， 以68%的产率得到(η(5)-C5H5)(CO)(i-Pr3P)Ru(Z)-C(H)C(C(C6H5)2)C13H21N2
  参考文献：
  名称：

  Allenylidene Ligand of [Ru(η⁵-C₅H₅)(CCCPh₂)(CO)(PPrⁱ₃)]BF₄ as Entry to Novel Unsaturated η¹-Carbon Ligands Containing Azetidine and Hexahydroquinoline Skeletons

  摘要：

  The allenylidene complex [RU(eta(5)-C5H5)(C=C=CPh2)(CO)(PPr3i)]BF4 (1) reacts with dicyclohexylcarbodiimide to give the iminiumazetidinylidenemethyl complex [RU(eta(5)-C5H5){CH= CCPh2N(Cy)=C=N=C(CH2)(4)CH2}(CO)(PPr3i)]BF4 (2), as a 4:1 mixture of isomers Z (za) and E (2b). The structure of 2a was determined by an X-ray investigation, revealing a Ru-C distance of 2.070(4) Angstrom. Treatment of the isomeric mixture of 2 with sodium methoxide in tetrahydrofuran at room temperature affords the iminoazetidinylidenemethyl complex Ru- (eta(5)-C5H5){(Z)-CH=CCPh2N(Cy)C=NC=CH(CH2)(3)CH2}(CO)(PPr3i) (6), which reacts with HBF4. OEt2 to give [RU(eta(5)-C5H5){(Z)-CH=CCPh2N(Cy)C=N(H)C=CH (CH2)(3)CH2}(CO)(PPr3i)]BF4 (7), as a result of the protonation of the exocyclic nitrogen atom of the unsaturated eta(1)-carbon ligand of 6. In the solid state and in solution at low temperature, complex 7 is stable. However, in solution at room temperature, complex 7 evolves into [Ru(eta(5)-C5H5){(Z)CH=CCPh2C(CH2)(4)CN(H)=CNHCy}(CO)(PPr3i)]BF4(8), which reacts with sodium methoxide in tetrahydrofuran at room temperature to give the hexahydroquinolinylidenemethyl complex Ru(eta(5)-C5H5){(Z)-CH=CCPh2C(CH2)(4)CN=CNHCy}(CO)(PPr3i) (9), as a result of the deprotonation of the endocyclic nitrogen atom of 8. The structure of 9 was also determined by an X-ray investigation, revealing, in this case, a Ru-C distance of 2.113(4) Angstrom. The formation of the azetidine and hexahydroquinoline skeletons of the ligands of these compounds is discussed.

  DOI：

  10.1021/om9809522