cis-[W(CO)4(PPh3)(CNC6H4OH)] | 164071-88-9

• 英文名称: cis-[W(CO)4(PPh3)(CNC6H4OH)]
• CAS: 164071-88-9
• 化学式: C₂₉H₂₀NO₅PW
• 分子量: 677.305
• InChiKey: PCVUGUHAXWRYTP-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：

  cis-[W(CO)4(PPh3)(CNC6H4OH)] 、 碘甲烷 在 KO-t-Bu 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以89%的产率得到(CO)4W(P(C₆H₅)3)(C₇H₄N(CH₃)O)
  参考文献：
  名称：

  Equilibrium between Ylidene and Isocyanide Complexes: Synthesis and Crystal Structure of cis-(N-Methyl-1,2-dihydrobenzoxazol-2-ylidene)(triphenylphosphine)tetracarbonyltungsten

  摘要：

  Reaction of 2-(trimethylsiloxy)phenyl isocyanide (1) with [W(THF)(CO)(5)] gives the complex [W(1)(CO)(5)](2a). Hydrolysis of the Si-O bond leads to the formation of an equilibrium between complexes with a 2-hydroxyphenyl isocyanide (3a) or a 1,2-dihydrobenzoxazol-2-ylidene ligand (4a), which lies mostly on the side of the ylidene complex 4a. Substitution, of one cis-CO ligand in 2a for P(C6H5)(3) enhances metal-to-ligand (d-->p)pi-back-bonding and shifts the equilibrium toward the isocyanide complex 3e. The equilibrium can again. be shifted toward the ylidene complex by deprotonation and alkylation of the ylidene nitrogen to give (N-methyl-1,2-dihydrobenzoxazol-2-ylide)(triphenylphosphine)tetracarbonyltungsten (4f) which was characterized by single-crystal X-ray structure analysis.

  DOI：

  10.1021/om00005a069
• 作为产物：
  描述：

  乙醇 、 cis-[N(C2H5)4][WBr[P(C6H5)3](CO)4] 、 2-(trimethylsilyloxy)phenyl isocyanide 在 potassium fluoride 作用下， 以 乙醇 为溶剂， 以42%的产率得到cis-[W(CO)4(PPh3)(CNC6H4OH)]
  参考文献：
  名称：

  Equilibrium between Ylidene and Isocyanide Complexes: Synthesis and Crystal Structure of cis-(N-Methyl-1,2-dihydrobenzoxazol-2-ylidene)(triphenylphosphine)tetracarbonyltungsten

  摘要：

  Reaction of 2-(trimethylsiloxy)phenyl isocyanide (1) with [W(THF)(CO)(5)] gives the complex [W(1)(CO)(5)](2a). Hydrolysis of the Si-O bond leads to the formation of an equilibrium between complexes with a 2-hydroxyphenyl isocyanide (3a) or a 1,2-dihydrobenzoxazol-2-ylidene ligand (4a), which lies mostly on the side of the ylidene complex 4a. Substitution, of one cis-CO ligand in 2a for P(C6H5)(3) enhances metal-to-ligand (d-->p)pi-back-bonding and shifts the equilibrium toward the isocyanide complex 3e. The equilibrium can again. be shifted toward the ylidene complex by deprotonation and alkylation of the ylidene nitrogen to give (N-methyl-1,2-dihydrobenzoxazol-2-ylide)(triphenylphosphine)tetracarbonyltungsten (4f) which was characterized by single-crystal X-ray structure analysis.

  DOI：

  10.1021/om00005a069