6-[(1E,5E)-6-(5-bromo-2-hydroxy-3-nitrophenyl)-2,5-diazahexa-1,5-dienyl]-4-bro mo-2-nitrophenol | 329070-67-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 6-[(1E,5E)-6-(5-bromo-2-hydroxy-3-nitrophenyl)-2,5-diazahexa-1,5-dienyl]-4-bro mo-2-nitrophenol
• 英文别名: 4-bromo-2-[2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]ethyliminomethyl]-6-nitrophenol
• CAS: 329070-67-9
• 化学式: C₁₆H₁₂Br₂N₄O₆
• 分子量: 516.102
• InChiKey: NXFPFSRHQMLHSS-UHFFFAOYSA-N

物化性质

• 熔点：
  140 °C
• 沸点：
  554.5±50.0 °C(Predicted)
• 密度：
  1.89±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  157
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  bis(acetylacetonate)oxovanadium 、 6-[(1E,5E)-6-(5-bromo-2-hydroxy-3-nitrophenyl)-2,5-diazahexa-1,5-dienyl]-4-bro mo-2-nitrophenol 以 吡啶 、 甲醇 为溶剂， 以87%的产率得到
  参考文献：
  名称：

  Synthesis, characterization and catalytic activity of novel monomeric and polymeric vanadyl Schiff base complexes

  摘要：

  This article describes the synthesis and characterization of two novel, as well as four previously reported, Schiff base complexes of oxovanadium(IV) and the study of their catalytic reactivity in the aerobic oxidation of olefins. The novel (5-Br-3-NO(2)salen) and (5-Br-3-NO2 meso-stein) ligands were, respectively, synthesized from condensation of 5-bromo-3-nitro-2-hydroxybenzaldehyde with ethylenediamine or meso-1,2-diphenyl-1,2-ethylenediamine. The reaction of these ligands with VO(acac)(2) readily resulted in the synthesis of their oxovanadium(IV) complexes [VO(5-Br-3-NO(2)salen)] and [VO(5-Br-3-NO(2)meso-stein)], respectively. The novel ligands, and complexes were deliberately designed to increase the V5+V4+ reduction potentials and to obtain better catalytic performances. [VO(5-Br-3-NO(2)salen)] complex was obtained in orange polymeric form but [VO(5-Br-3-NO(2)sal-meso-stein)] complex was obtained in green monomeric form. The monomeric form of the latter complex along with its high (V5+V4+) reduction potential makes it a suitable candidate for the aerobic oxidation of olefins. Systematic substitutions on the ancillary ligand have allowed V5+N4+ reduction potentials to be tuned over a range of approximately 475 mV. Catalytic activity increases with increasing V5+N4+ reduction potential and catalytic selectivity varies by changes in the ligands. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcata.2005.09.022
• 作为产物：
  描述：

  5-溴水杨醛 在 硝酸 、 溶剂黄146 作用下， 以 甲醇 为溶剂， 生成 6-[(1E,5E)-6-(5-bromo-2-hydroxy-3-nitrophenyl)-2,5-diazahexa-1,5-dienyl]-4-bro mo-2-nitrophenol
  参考文献：
  名称：

  一系列新型铜（II）席夫碱配合物的晶体结构、光谱、电化学和抗菌性能

  摘要：

  合成并表征了两个新的和两个先前报道的席夫碱配体以及四个相应的新 Cu(II) 配合物 (CuL1-4)。席夫碱配体由 5-溴-2-羟基-3-硝基苯甲醛与脂肪族 (H2L1-2) 或芳香族 (H2L3-4) 二胺缩合而成。CuL2和CuL3的晶体结构通过X射线晶体学确定。研究了这些配体和复合物对四种人类致病细菌的抗菌特性。复合物显示出中等的抗菌活性，高于配体的抗菌活性。

  DOI：

  10.1080/00958972.2015.1051476

文献信息

• Nickel <i>versus</i> copper: enhanced antibacterial activity in a series of new nickel(II) Schiff base complexes
  作者：Mahnaz Honarkar Ashna、Mahdi Behzad、Mehdi Salehi

  DOI：10.1080/00958972.2015.1117073

  日期：2016.1.17

  Five new Ni(II) Schiff base complexes [NiLx(Solv)(2)] denoted by NiLx, x=1-5, were synthesized and characterized. The Schiff base ligands were synthesized from the condensation of 5-bromo-2-hydroxy-3-nitrobenzaldehyde with different aliphatic and aromatic diamines. The X-ray crystal structure of NiL3 was determined. The ligands and complexes were tested as antibacterial agents against two gram(+) and two gram(-) human pathogenic bacteria. The complexes showed moderate antibacterial activity against both gram type bacteria. The new Ni(II) complexes showed enhanced antibacterial activity compared to the previously reported Cu(II) complexes of the same ligands.[GRAPHICS]