2-[[2-(Hydroxymethyl)-4-methylphenyl]iminomethyl]phenol | 717883-18-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-[[2-(Hydroxymethyl)-4-methylphenyl]iminomethyl]phenol
• CAS: 717883-18-6
• 化学式: C₁₅H₁₅NO₂
• 分子量: 241.29
• InChiKey: WBQUWWUIXSUQFF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  52.8
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  二氯甲烷 、 2-[[2-(Hydroxymethyl)-4-methylphenyl]iminomethyl]phenol 、 copper(II) acetate monohydrate 以 甲醇 为溶剂， 以45%的产率得到
  参考文献：
  名称：

  Crystal structures and magnetic properties of tetranuclear copper(II) complexes of N-(2-hydroxymethylphenyl)salicylideneimine with a defective double-cubane core

  摘要：

  Tetranuclear Cu(11) complexes of N-(2-hydroxymethylphenyl)salicylidencimine (H(2)L1-H) and its homologues (5-CH3: H(2)L1-Me, 5-Cl: H(2)L1-Cl), [Cu(Ll-H)](4).3H(2)O (1), [Cu(L1-Me)](4).2CH(2)Cl(2) (2), and [Cu(L1-Cl)](4) . 2CH(2)Cl(2) (3), have been characterized by X-ray crystal structure analyses and magnetic measurements. The structure analyses revealed that the complexes 1-3 have a defective double-cubane tetra copper(H) core connected by mu(3)-alkoxo bridges. The intramolecular Cu...Cu distances are in the range from 5.251(2)-5.256(3) Angstrom for the longest to 3.0518(9)-3.092(2) Angstrom for the shortest. Each Cu(11) ion has a square-pyramidal geometry and the dihedral angles between adjacent Cu(II) basal planes are almost right angles. Magnetic measurements of the present complexes indicate that weak antiferromagnetic interactions (J = -15 to -19 cm(-1)) between neighboring copper(H) ions are dominant in these tetracopper cores. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2004.03.011