4,6-Ditert-butyl-2-methylpyrimidin-5-olate;dimethylazanide;zirconium(4+) | 914782-81-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 4,6-Ditert-butyl-2-methylpyrimidin-5-olate;dimethylazanide;zirconium(4+)
• CAS: 914782-81-3
• 化学式: C₃₀H₅₄N₆O₂Zr
• 分子量: 622.022
• InChiKey: VAKLORBQGVDKKH-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  6.14
• 重原子数：
  39
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  99.7
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  4,6-Ditert-butyl-2-methylpyrimidin-5-olate;dimethylazanide;zirconium(4+) 、 水 以 neat (no solvent) 为溶剂， 生成 4,6-Ditert-butyl-2-methylpyrimidin-5-olate;dimethylazanide;oxygen(2-);zirconium(4+)
  参考文献：
  名称：

  Group 4 Bis(pyrimidinoxide) Complexes. Investigations of Electronic Effects in Catalytic Hydroamination

  摘要：

  Substituted pyrimidinols, acidic aromatic alcohols, were used as proligands to synthesize metal complexes of Ti and Zr. These new pseudotetrahedral complexes were investigated as catalysts for the hydroamination of alkynes and alkenes. The stabilized anion of the pyrimidinoxide ligand results in enhanced electrophilicity at the metal center. These electronically modified complexes are catalytically active, but their enhanced reactivity results in reduced selectivity in comparison with the related bis(phenoxide) complexes in alkyne hydroamination. This reactivity was used to advantage in the cyclohydroamination of select aminoalkene substrates with the Zr bis(pyrimidinoxide) complex.

  DOI：

  10.1021/om060587b
• 作为产物：
  描述：

  四(二甲氨基)锆 、 4,6-Bis(1,1-dimethylethyl)-5-hydroxy-2-methyl pyrimidine 以 甲苯 为溶剂， 以96%的产率得到4,6-Ditert-butyl-2-methylpyrimidin-5-olate;dimethylazanide;zirconium(4+)
  参考文献：
  名称：

  Group 4 Bis(pyrimidinoxide) Complexes. Investigations of Electronic Effects in Catalytic Hydroamination

  摘要：

  Substituted pyrimidinols, acidic aromatic alcohols, were used as proligands to synthesize metal complexes of Ti and Zr. These new pseudotetrahedral complexes were investigated as catalysts for the hydroamination of alkynes and alkenes. The stabilized anion of the pyrimidinoxide ligand results in enhanced electrophilicity at the metal center. These electronically modified complexes are catalytically active, but their enhanced reactivity results in reduced selectivity in comparison with the related bis(phenoxide) complexes in alkyne hydroamination. This reactivity was used to advantage in the cyclohydroamination of select aminoalkene substrates with the Zr bis(pyrimidinoxide) complex.

  DOI：

  10.1021/om060587b

文献信息

• Group 4 Bis(pyrimidinoxide) Complexes. Investigations of Electronic Effects in Catalytic Hydroamination
  作者：Alison V. Lee、Laurel L. Schafer

  DOI：10.1021/om060587b

  日期：2006.10.1

  Substituted pyrimidinols, acidic aromatic alcohols, were used as proligands to synthesize metal complexes of Ti and Zr. These new pseudotetrahedral complexes were investigated as catalysts for the hydroamination of alkynes and alkenes. The stabilized anion of the pyrimidinoxide ligand results in enhanced electrophilicity at the metal center. These electronically modified complexes are catalytically active, but their enhanced reactivity results in reduced selectivity in comparison with the related bis(phenoxide) complexes in alkyne hydroamination. This reactivity was used to advantage in the cyclohydroamination of select aminoalkene substrates with the Zr bis(pyrimidinoxide) complex.