| 182153-23-7

• CAS: 182153-23-7
• 化学式: C₂₂H₃₄OSi₂Zr
• 分子量: 461.906
• InChiKey: CHKFQXJVMGZNRF-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：

  以 正己烷 为溶剂， 生成 cyclopenta-1,3-diene;(E)-2-methanidylprop-1-en-1-olate;zirconium(4+)
  参考文献：
  名称：

  Influence of solvents on the insertion of methacrolein into zirconacyclopropenes

  摘要：

  The reaction of Cp(2)Zr(L)(eta(2)-Me(3)SiC(2)SiMe(3)) (L = THF, py) with equimolar amounts of H2C=CMe-CHO at room temperature depends strongly on the ligands L and the solvents that are used. With L = THF, in THF solution the insertion product Cp(2)Zr-O-CH(CMe=CH2)-C(SiMe(3))=C(SiMe(3)) 1 was isolated, whereas by conducting the reaction in n-hexane solution an alkyne substitution with 1,4-coordination of the methacrolein takes place and the binuclear complex [Cp(2)Zr-O-CH=CMe-CH2](2) 2 was obtained. In contrast, with L = py (a stronger ligand) only a 1:1 ratio of 1 and 2 was observed in both THF and in n-hexane, At 50 degrees C complex 1 was converted into 2 and the alkyne was eliminated quantitatively.Complexes 1 and 2 were characterized by IR and NMR spectroscopical measurements and 1 by an additional X-ray structure determination.

  DOI：

  10.1016/0022-328x(96)06315-2
• 作为产物：
  描述：

  2-甲基丙烯醛 、 Cp2Zr(THF)(η(2)-Me3SiC2SiMe3) 以 四氢呋喃 为溶剂， 以68%的产率得到
  参考文献：
  名称：

  Influence of solvents on the insertion of methacrolein into zirconacyclopropenes

  摘要：

  The reaction of Cp(2)Zr(L)(eta(2)-Me(3)SiC(2)SiMe(3)) (L = THF, py) with equimolar amounts of H2C=CMe-CHO at room temperature depends strongly on the ligands L and the solvents that are used. With L = THF, in THF solution the insertion product Cp(2)Zr-O-CH(CMe=CH2)-C(SiMe(3))=C(SiMe(3)) 1 was isolated, whereas by conducting the reaction in n-hexane solution an alkyne substitution with 1,4-coordination of the methacrolein takes place and the binuclear complex [Cp(2)Zr-O-CH=CMe-CH2](2) 2 was obtained. In contrast, with L = py (a stronger ligand) only a 1:1 ratio of 1 and 2 was observed in both THF and in n-hexane, At 50 degrees C complex 1 was converted into 2 and the alkyne was eliminated quantitatively.Complexes 1 and 2 were characterized by IR and NMR spectroscopical measurements and 1 by an additional X-ray structure determination.

  DOI：

  10.1016/0022-328x(96)06315-2