2-{(E)-[2-(chloroethyl)imino]methyl}-4-bromophenol | 1448640-68-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-{(E)-[2-(chloroethyl)imino]methyl}-4-bromophenol
• 英文别名: (E)-4-bromo-2-((2-chloroethylimino)methyl)phenol
• CAS: 1448640-68-3
• 化学式: C₉H₉BrClNO
• 分子量: 262.534
• InChiKey: JQAQVUOXWOFWJH-WUXMJOGZSA-N

物化性质

• 沸点：
  339.7±42.0 °C(predicted)
• 密度：
  1.51±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.81
• 重原子数：
  13.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  32.59
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  2-{(E)-[2-(chloroethyl)imino]methyl}-4-bromophenol 、 nickel(II) acetate tetrahydrate 以 乙醇 为溶剂， 反应 3.0h， 以57%的产率得到Ni((E)-4-bromo-2-((2-chloroethylimino)methyl)phenol)2
  参考文献：
  名称：

  Synthesis, spectroscopic characterization and antimicrobial studies of Co(II), Ni(II), Cu(II) and Zn(II) complexes with Schiff bases derived from 5-bromo-salicylaldehyde

  摘要：

  In this study, the new Schiff base ligands derived from condensation of amine and 5-bromo-salicylaldehyde were characterized. All compounds, the Schiff bases and the metal complexes, were characterized by elemental analyzes, FT-IR, H-1 NMR, C-13 NMR and magnetic susceptibility measurements. The synthesized ligands, along with their metal (II) complexes, were screened for their in vitro antibacterial activity against four Gram-negative (Escherichia coli, Klebsiella pneumoniae, Pseudomonas aeruginosa and Salmonella enteritidis) and four Gram-positive (Streptococcus pyogones, Bacillus cereus, Staphylococcus aureus and Methicillin-resistant S. aureus) bacterial strains by using disc diffusion and broth microdilution techniques.The minimum inhibitory concentration (MIC) values were calculated by microplate reader at 620 nm to. optimum result. It was found that all compounds showed mild to moderate antibacterial activity and the Schiff base ligands had a better antibacterial activity than their complexes. (c) 2013 Published by Elsevier B.V.

  DOI：

  10.1016/j.molstruc.2013.06.017
• 作为产物：
  描述：

  2-氯乙胺盐酸盐 、 5-溴水杨醛 在 三乙胺 作用下， 以 甲醇 为溶剂， 反应 1.0h， 以85%的产率得到2-{(E)-[2-(chloroethyl)imino]methyl}-4-bromophenol
  参考文献：
  名称：

  Synthesis, spectroscopic characterization and antimicrobial studies of Co(II), Ni(II), Cu(II) and Zn(II) complexes with Schiff bases derived from 5-bromo-salicylaldehyde

  摘要：

  In this study, the new Schiff base ligands derived from condensation of amine and 5-bromo-salicylaldehyde were characterized. All compounds, the Schiff bases and the metal complexes, were characterized by elemental analyzes, FT-IR, H-1 NMR, C-13 NMR and magnetic susceptibility measurements. The synthesized ligands, along with their metal (II) complexes, were screened for their in vitro antibacterial activity against four Gram-negative (Escherichia coli, Klebsiella pneumoniae, Pseudomonas aeruginosa and Salmonella enteritidis) and four Gram-positive (Streptococcus pyogones, Bacillus cereus, Staphylococcus aureus and Methicillin-resistant S. aureus) bacterial strains by using disc diffusion and broth microdilution techniques.The minimum inhibitory concentration (MIC) values were calculated by microplate reader at 620 nm to. optimum result. It was found that all compounds showed mild to moderate antibacterial activity and the Schiff base ligands had a better antibacterial activity than their complexes. (c) 2013 Published by Elsevier B.V.

  DOI：

  10.1016/j.molstruc.2013.06.017

文献信息

• Synthesis, characterization, crystal structure determination and computational study of the two new bidentate O, N Schiff bases derived from bromosalicylaldehyde and amines containing alkyl halide pendant groups
  作者：Gholamhossein Grivani、Vida Tahmasebi、Keiamars Eskandari、Aliakbar Dehno Khalaji、Giuseppe Bruno、Hadi Amiri Rudbari

  DOI：10.1016/j.molstruc.2013.09.026

  日期：2013.12

  Abstract Two new Schiff base compounds 2-(E)-[2-(bromoethyl)imino]methyl}-4-bromophenol ( 1 ) and 2-(E)-[2-(chloroethyl)imino]methyl}-4-bromophenol ( 2 ) have been synthesized and characterized by FT-IR and 1 H NMR spectroscopy, elemental analysis, thermal studies and single-crystal X-ray diffraction. They crystallize in the triclinic system, space group P− 1. Both Schiff base compounds 1 and 2 display

  摘要 两种新的席夫碱化合物 2-(E)-[2-(溴乙基)亚氨基]甲基}-4-溴苯酚 (1) 和 2-(E)-[2-(氯乙基)亚氨基]甲基}-4 -溴苯酚 (2) 已被合成并通过 FT-IR 和 1 H NMR 光谱、元素分析、热研究和单晶 X 射线衍射表征。它们在三斜晶系、空间群 P-1 中结晶。席夫碱化合物 1 和 2 都显示出相对于 CN 双键的反式构型。分子中原子的量子理论 (QTAIM) 也已用于发现分子内相互作用并研究它们的化学性质。结果表明，在化合物1和2中，亚胺的氮与苯酚的氧之间存在氢键，其强度远强于正常的氢键。此外，