(E)-2-(((4-(benzo[d]oxazol-2-yl)phenyl)imino)methyl)phenol | 1617494-80-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (E)-2-(((4-(benzo[d]oxazol-2-yl)phenyl)imino)methyl)phenol
• CAS: 1617494-80-0
• 化学式: C₂₀H₁₄N₂O₂
• 分子量: 314.343
• InChiKey: BLRDLZYIAXSNNZ-FYJGNVAPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.95
• 重原子数：
  24.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  58.62
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  (E)-2-(((4-(benzo[d]oxazol-2-yl)phenyl)imino)methyl)phenol 、 copper(II) acetate monohydrate 以 甲醇 、 二氯甲烷 为溶剂， 以46.38%的产率得到C₈₀H₅₂Cu₂N₈O₈
  参考文献：
  名称：

  Influence of anions on decomposition of Schiff base ligand determines the structure and magnetic property of dinuclear copper(II) complexes

  摘要：

  Two dinuclear copper(II) complexes (1 and 2) with similar coordination modes, supported by the phenylbenzoxazole system, were synthesized by the self-assembly of the (E) 2-hydroxy-4-[4'-(benzoxazolyl)] benzylideneimine (L) with cupric acetate and cupric chloride, respectively. The X-ray single crystal analysis demonstrates that the copper atom both in 1 and 2 is five-coordinated and features a distorted pyramidal geometry. 2 show a novel dicopper-dichlorine two dimensional coordination polymer with the Cu-II-Cl-Cu-II structural motif, while 1 is dicopper-dioxygen complex with the Cu-II-O-Cu-II substrate. Magnetic property of 2 indicates antiferromagnetic (AF) coupling between two identical Cu2+ ions and provides satisfactory fits for 2 in the temperature range 2-300 K with the following parameters: J= -2.68 cm(-1), g(1) = g(2) = 2.15. These results indicate that the anion will influence the stability of Schiff base ligand, which further influence the various architectures and magnetic property of coordination complexes. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2015.08.021
• 作为产物：
  描述：

  2-氨基苯酚 在 polyphosphoric acid 作用下， 以 乙醇 为溶剂， 反应 0.5h， 生成 (E)-2-(((4-(benzo[d]oxazol-2-yl)phenyl)imino)methyl)phenol
  参考文献：
  名称：

  Novel highly emissive H-aggregates with aggregate fluorescence change in a phenylbenzoxazole-based system

  摘要：

  一种基于苯并噁唑的衍生物展现出新颖且高发射的H型聚集体。

  DOI：

  10.1039/c4cc02564d