4-bromo-2-(((3,5-dimethylisoxazol-4-yl)imino)methyl)phenol | 1085234-36-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 4-bromo-2-(((3,5-dimethylisoxazol-4-yl)imino)methyl)phenol
• CAS: 1085234-36-1
• 化学式: C₁₂H₁₁BrN₂O₂
• 分子量: 295.136
• InChiKey: WFDDDAKFZNNEJD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.51
• 重原子数：
  17.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 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：

  4-bromo-2-(((3,5-dimethylisoxazol-4-yl)imino)methyl)phenol 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 0.5h， 以93%的产率得到4-bromo-2-(((3,5-dimethylisoxazol-4-yl)amino)methyl)phenol
  参考文献：
  名称：

  Rajanarendar; Mohan; Rami Reddy, A. Siva, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2008, vol. 47, # 1, p. 112 - 116

  摘要：

  DOI：
• 作为产物：
  描述：

  4-氨基-3,5-二甲基异恶唑 、 5-溴水杨醛 以 甲醇 为溶剂， 以90%的产率得到4-bromo-2-(((3,5-dimethylisoxazol-4-yl)imino)methyl)phenol
  参考文献：
  名称：

  Synthesis, crystal structure, DNA binding and cleavage studies of copper(II) complexes with isoxazole Schiff bases

  摘要：

  Three novel binary copper(II) complexes 1 [Cu(L-1)(2)], 2 [Cu(L-2)(2)] and 3 [Cu(L-3)(2)] where, L-1 (1-((E)-(3,5-dimethylisoxazol-4-ylimino)methyl)naphthalen-2-ol, C16H14N2O2), L-2 (2-((E)-(3,5-dimethylisoxazol-4-ylimino)methyl)-4-methoxyphenol, C13H14N2O3) and L-3 (2-((E)-(3,5-dimethylisoxazol-4-ylimino)-methyl)-4-bromophenol, C12H11BrN2O2) have been synthesized. All Cu(II) complexes have been characterized by elemental analysis, FT-IR, ESI mass, UV-Vis, ESR, TG-DTA, magnetic moments and single crystal X-ray diffraction studies. Based on spectral studies square planar geometry is assigned for all Cu(II) complexes. Ligand L-1, [Cu(L-1)(2)] and [Cu(L-2)(2)] are crystallized and found to be triclinic, orthorhombic and monoclinic crystal systems respectively. The Schiff bases and their Cu(II) complexes have been screened for antibacterial activity and antifungal activity by paper disc method. It is observed that all Cu(II) complexes showed more activity than corresponding Schiff bases. DNA binding and cleavage studies of Cu(II) complexes have also been investigated. It is observed an intercalation mode of binding with CT-DNA and cleavage of supercoiled pBR322 DNA in the presence of H2O2 and UV light. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2015.07.052