4-methyl-2,6-bis(5-hydroxypentyliminomethyl)phenol | 1613233-68-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 4-methyl-2,6-bis(5-hydroxypentyliminomethyl)phenol
• CAS: 1613233-68-3
• 化学式: C₁₉H₃₀N₂O₃
• 分子量: 334.459
• InChiKey: KAPRMIADUAYGTO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.86
• 重原子数：
  24.0
• 可旋转键数：
  12.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  85.41
• 氢给体数：
  3.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  4-methyl-2,6-bis(5-hydroxypentyliminomethyl)phenol 、 copper(II) acetate monohydrate 、 乙腈 反应 1.75h， 以65%的产率得到C₄₆H₇₀Cu₄N₄O₁₅*1.5C₂H₃N
  参考文献：
  名称：

  Synthesis, characterization and catalytic properties of multinuclear copper(II) complexes

  摘要：

  Four tetranuclear [Cu-4(O)(L-n)(2)(CH3COO)(4)] (1, 2, 4 and 5) and one pentanuclear [Cu-5(OH)(2)(L-3)(2)(CH3COO)(6)] (3) with N2O-donor Schiff-base ligands have been synthesized, where HL1 = 4-methyl-2,6-bis(2-hydroxyethyliminomethyl)phenol for complex 1, HL2 = 4-methyl-2,6-bis(3-hydroxypropyliminomethyl)phenol for complex 2, HL3 = 4-methyl-2,6-bis(4-hydroxybutyliminomethyl)phenol for complex 3, HL4 = 4-methyl-2,6-bis(5-hydroxypentyliminomethyl)phenol for complex 4 and HL5 = 4-methyl-2,6-bis(6-hydroxyhexyliminomethyl)phenol for complex 5. These complexes have been characterized by elemental analysis, FT-IR, UV-Vis spectroscopy. The structures of 1, 3, 4 and 5 have been determined by single crystal X-ray diffraction studies. X-ray analysis reveals that complexes 1, 4 and 5 are mu(4)-oxido-bridged tetrameric copper(II) complexes, where four copper atoms arrange themselves around an oxidooxygen atom at the vertices of a distorted tetrahedron. The pentanuclear complex, 3, has been found to have two mu(3)-hydroxido bridging ligands each connecting three copper atoms. These complexes have been employed as catalyst for the epoxidation of olefins in the presence of tert-butyl hydroperoxide (TBHP) as the oxidant under mild conditions. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2014.04.028
• 作为产物：
  描述：

  5-氨基-1-戊醇 、 2,6-二甲酰-4-甲基苯酚 以 乙腈 为溶剂， 反应 5.0h， 生成 4-methyl-2,6-bis(5-hydroxypentyliminomethyl)phenol
  参考文献：
  名称：

  Synthesis, characterization and catalytic properties of multinuclear copper(II) complexes

  摘要：

  Four tetranuclear [Cu-4(O)(L-n)(2)(CH3COO)(4)] (1, 2, 4 and 5) and one pentanuclear [Cu-5(OH)(2)(L-3)(2)(CH3COO)(6)] (3) with N2O-donor Schiff-base ligands have been synthesized, where HL1 = 4-methyl-2,6-bis(2-hydroxyethyliminomethyl)phenol for complex 1, HL2 = 4-methyl-2,6-bis(3-hydroxypropyliminomethyl)phenol for complex 2, HL3 = 4-methyl-2,6-bis(4-hydroxybutyliminomethyl)phenol for complex 3, HL4 = 4-methyl-2,6-bis(5-hydroxypentyliminomethyl)phenol for complex 4 and HL5 = 4-methyl-2,6-bis(6-hydroxyhexyliminomethyl)phenol for complex 5. These complexes have been characterized by elemental analysis, FT-IR, UV-Vis spectroscopy. The structures of 1, 3, 4 and 5 have been determined by single crystal X-ray diffraction studies. X-ray analysis reveals that complexes 1, 4 and 5 are mu(4)-oxido-bridged tetrameric copper(II) complexes, where four copper atoms arrange themselves around an oxidooxygen atom at the vertices of a distorted tetrahedron. The pentanuclear complex, 3, has been found to have two mu(3)-hydroxido bridging ligands each connecting three copper atoms. These complexes have been employed as catalyst for the epoxidation of olefins in the presence of tert-butyl hydroperoxide (TBHP) as the oxidant under mild conditions. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2014.04.028