| 172609-79-9

• CAS: 172609-79-9
• 化学式: C₁₁H₁₀O₂W
• 分子量: 358.049
• InChiKey: QIMJDGMJPRHAIF-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

• 作为产物：
  描述：

  、 水 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  Water-Induced Isomerization of CpW(NO)(o-tolyl)2 to CpW(O)(N-o-tolyl)(o-tolyl) and Related Chemistry

  摘要：

  Treatment of a THF solution of CpW(NO)(o-tolyl)(2) (1) with H2O affords a structural isomer of 1, namely CpW(O)(N-o-tolyl)(o-tolyl) (2), in 30% isolated yield as well as the expected product, CpW(O)a(o-tolyl) (3), in low isolated yield(10%). Complexes 2 and 3 are formed in a ratio of approximately 1:1 upon treatment of a C6D6 solution Of 1 with D2O Similar treatment of 1 with (OH2)-O-18 results in the production of unlabeled complex 2, thereby establishing the intramolecular nature of the water-catalyzed isomerization of 1 to 2. The characteristic reactivity of CpW(NO)(o-tolyl)(2) toward various classes of reagents has been investigated to determine if the conversion of 1 to 2 can be effected with reagents other than water. In general, this reactivity has been found to be similar to that exhibited by other Cp'W(NO)R(2) (Cp' = Cp or Cp*; R = alkyl or aryl) complexes, and treatment of 1 with reagents other than water does not result in isomerization of the organometallic reactant. The isomerization is also dependent upon the nature of the Cp ligand, the metal, and the aryl groups as evidenced by the fact that treatment of the related diaryl complexes, CpW(NO)(p-tolyl)(2), CpW(NO)Ph(2), CpMo(NO)(o-tolyl)(2), and Cp*W(NO)(o-tolyl)(2), with water does not result in the production of their arylimido oxo structural isomers. Consequently, the water-induced isomerization of 1 to 2 remains a unique chemical process. Crystals of CpW(NO)(o-tolyl)(2) (1) and CpW(O)(N-o-tolyl)(o-tolyl) (2) have been subjected to X-ray crystallographic analyses.

  DOI：

  10.1021/om00012a026