| 1421325-27-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• CAS: 1421325-27-0
• 化学式: C₁₉H₂₀N₂O
• 分子量: 292.381
• InChiKey: RRPNBKZPCMFAKD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.68
• 重原子数：
  22.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  38.05
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  、 三甲基铝 以 四氢呋喃 、 甲苯 为溶剂， 以55%的产率得到
  参考文献：
  名称：

  Aluminium complexes containing pyrazolyl–phenolate ligands as catalysts for ring opening polymerization of ε-caprolactone

  摘要：

  A series of pyrazolyl-phenolate ligand precursors has been described. Reactions of five pyrazolyl-phenolate ligand precursors, HOPh(Me)Pz(Me), HOPh(Me)Pzt(Bu), HOPh(Me)Pz(Ph), HOPh(Me)Pz(F-Ph) or HOPh(H)Pz(tBu), with one molar equivalent of AlMe3 in THF gave the aluminium dimethyl complexes, Me2Al(OPh(R1)Pz(R2)) [R1 methyl, R2 methyl, Me2Al(OPh(Me)Pz(Me)) (1); R1 methyl, R2 tert-butyl, Me2Al(OPh(Me)Pz(tBu)) (2); R1 methyl, R2 phenyl, Me2Al(OPh(Me)Pz(Ph)) (3); R1 methyl, R2 4-fluorophenyl, Me2Al(OPh(Me)Pz(F-Ph)) (4); R1 H, R2 tert-butyl, Me2Al(OPh(H)Pz(tBu)) (5)], respectively. The molecular structures are reported for compounds 3 and 5. Their catalytic activities towards the ring opening polymerization reaction of epsilon-caprolactone in the presence of benzyl alcohol are also under investigation. (C) 2012 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2012.12.003
• 作为产物：
  描述：

  苯甲酰(2-羟基苯酰)甲烷 、 叔丁基肼盐酸盐 在 三乙胺 作用下， 以 甲醇 为溶剂， 反应 12.0h， 以57%的产率得到
  参考文献：
  名称：

  Aluminium complexes containing pyrazolyl–phenolate ligands as catalysts for ring opening polymerization of ε-caprolactone

  摘要：

  A series of pyrazolyl-phenolate ligand precursors has been described. Reactions of five pyrazolyl-phenolate ligand precursors, HOPh(Me)Pz(Me), HOPh(Me)Pzt(Bu), HOPh(Me)Pz(Ph), HOPh(Me)Pz(F-Ph) or HOPh(H)Pz(tBu), with one molar equivalent of AlMe3 in THF gave the aluminium dimethyl complexes, Me2Al(OPh(R1)Pz(R2)) [R1 methyl, R2 methyl, Me2Al(OPh(Me)Pz(Me)) (1); R1 methyl, R2 tert-butyl, Me2Al(OPh(Me)Pz(tBu)) (2); R1 methyl, R2 phenyl, Me2Al(OPh(Me)Pz(Ph)) (3); R1 methyl, R2 4-fluorophenyl, Me2Al(OPh(Me)Pz(F-Ph)) (4); R1 H, R2 tert-butyl, Me2Al(OPh(H)Pz(tBu)) (5)], respectively. The molecular structures are reported for compounds 3 and 5. Their catalytic activities towards the ring opening polymerization reaction of epsilon-caprolactone in the presence of benzyl alcohol are also under investigation. (C) 2012 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2012.12.003