2-((3,4-dimethylisoxazol-5-ylimino)methyl)-4-bromophenol | 1426400-30-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-((3,4-dimethylisoxazol-5-ylimino)methyl)-4-bromophenol
• 英文别名: 4-Bromo-2-[(3,4-dimethyl-1,2-oxazol-5-yl)iminomethyl]phenol
• CAS: 1426400-30-7
• 化学式: C₁₂H₁₁BrN₂O₂
• 分子量: 295.136
• InChiKey: HLEKHOGZPDBDIP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  58.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-((3,4-dimethylisoxazol-5-ylimino)methyl)-4-bromophenol 、 copper diacetate 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  Synthesis, crystal structure, spectroscopic, and biological studies on Cu(II) complexes of N,O donor dimethyl isoxazole Schiff bases

  摘要：

  Cu(II) complexes with Schiff bases DMIIMP, DMIIMBD, DMIIMBP, DMIIMCP, DMIIMMP, and DMIIMNP (see Introduction for definitions) are derived from condensation of 3,4-dimethyl 5-amino-isoxazole with salicylaldehyde and substituted salicylaldehydes. The newly synthesized ligands were characterized by IR, UV-Vis, 1H NMR, 13C NMR, mass spectra, and elemental analysis. The Cu(II) complexes were characterized by IR, UV-Vis, ESR, elemental analysis, magnetic moments, thermogram, DTA, and single crystal analysis. The complexes have general formula [M(L)2]. The Schiff bases are bidentate coordinating through the azomethine nitrogen and phenolic oxygen of salicylaldehydes. Based on the analytical and spectral data, four-coordinate geometry is assigned for all the complexes. ESR and single crystal analysis suggests square planar geometry for all complexes. [Cu(DMIIMP)2] crystallizes in the orthorhombic system. Antimicrobial studies of Schiff bases and their metal complexes show significant activity with the metal complexes showing more activity than corresponding Schiff bases. Cytotoxicity of the copper complexes on human cervical carcinoma cells (HeLa) was measured using the Methyl Thiazole Tetrazolium assay.

  DOI：

  10.1080/00958972.2012.755174
• 作为产物：
  描述：

  5-氨基-3,4-二甲基异唑 、 5-溴水杨醛 以 甲醇 为溶剂， 反应 0.01h， 以95%的产率得到2-((3,4-dimethylisoxazol-5-ylimino)methyl)-4-bromophenol
  参考文献：
  名称：

  Synthesis, crystal structure, spectroscopic, and biological studies on Cu(II) complexes of N,O donor dimethyl isoxazole Schiff bases

  摘要：

  Cu(II) complexes with Schiff bases DMIIMP, DMIIMBD, DMIIMBP, DMIIMCP, DMIIMMP, and DMIIMNP (see Introduction for definitions) are derived from condensation of 3,4-dimethyl 5-amino-isoxazole with salicylaldehyde and substituted salicylaldehydes. The newly synthesized ligands were characterized by IR, UV-Vis, 1H NMR, 13C NMR, mass spectra, and elemental analysis. The Cu(II) complexes were characterized by IR, UV-Vis, ESR, elemental analysis, magnetic moments, thermogram, DTA, and single crystal analysis. The complexes have general formula [M(L)2]. The Schiff bases are bidentate coordinating through the azomethine nitrogen and phenolic oxygen of salicylaldehydes. Based on the analytical and spectral data, four-coordinate geometry is assigned for all the complexes. ESR and single crystal analysis suggests square planar geometry for all complexes. [Cu(DMIIMP)2] crystallizes in the orthorhombic system. Antimicrobial studies of Schiff bases and their metal complexes show significant activity with the metal complexes showing more activity than corresponding Schiff bases. Cytotoxicity of the copper complexes on human cervical carcinoma cells (HeLa) was measured using the Methyl Thiazole Tetrazolium assay.

  DOI：

  10.1080/00958972.2012.755174