| 174781-26-1

• CAS: 174781-26-1
• 化学式: C₁₇H₂₅NbO
• 分子量: 338.291
• InChiKey: DXXVVRLKBOUOBM-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：

  (MeC5H4)2Nb(η(2)-CO2)(CH2(t)Bu) 以 四氢呋喃 为溶剂， 以18%的产率得到
  参考文献：
  名称：

  Thermolysis of (MeCp) 2Nb(η2−CO2)R complexes: decarbonylation vs. insertion

  摘要：

  A series of carbon dioxide complexes of the type Cp(2)'Nb(eta(2)-CO2)R (Cp' = MeC(5)H(4); R = -CH(2)SiMe(3), 1a; -CH(2)CMe(3), 1b; -CH(2)Ph, 1c; -CH3, 1d) was prepared and the thermolyses of 1a-1c investigated. When heated at 60 degrees C in THF, complexes 1a and 1b are converted to the corresponding oxo derivatives (MeC(5)H(4))(2)Nb(=O)R (2a, 2b) and CO. The structure of 2a was established by X-ray diffraction and consists of a pseudotetrahedral Cp(2)MXY arrangement. That the oxo group of 2 is derived from coordinated CO2 was confirmed by C-13 labeling. Thermolysis of benzyl derivative Ic exhibits concentration dependent behavior, converting to the corresponding oxoalkyl derivative 2c in dilute solutions but forming a mixture of 2c and the carbonyl complex (MeC(5)H(4))(2)Nb(CO)CH(2)Ph (4) in more concentrated solutions. With extended reaction times 2c and 4 decompose producing PhCH(3), PhCH(2)CH(2)Ph, PhCH(2)OH, and PhCHO, the products of apparent M-C homolysis and oxidation.

  DOI：

  10.1016/0022-328x(95)05667-e