N'-(5-Br-salicylaldimine)-dipropylenetriamine | 1196696-31-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: N'-(5-Br-salicylaldimine)-dipropylenetriamine
• 英文别名: 2-[3-(3-Aminopropylamino)propyliminomethyl]-4-bromophenol；2-[3-(3-aminopropylamino)propyliminomethyl]-4-bromophenol
• CAS: 1196696-31-7
• 化学式: C₁₃H₂₀BrN₃O
• 分子量: 314.225
• InChiKey: ZSBKDYODNZZOAN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  18
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  70.6
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N'-(5-Br-salicylaldimine)-dipropylenetriamine 、 三氯化铁 在 triethylamine 作用下， 以 甲醇 为溶剂， 生成 Fe(N'-(5-Br-salicylaldimine)-dipropylenetriamine)Cl₂
  参考文献：
  名称：

  Functional model for catecholase-like activity: Synthesis, structure, spectra, and catalytic activity of iron(III) complexes with substituted-salicylaldimine ligands

  摘要：

  Four new mononuclear iron(III) complexes with the substituted-salicylaldimine ligands, [Fe(L-1)(TCC)] (1), [Fe(L-2)(TBC)] (2), [Fe(L-3)(TBC)] (3) and [Fe(L-4)(TCC)](CH3CN) (4) (HL1 = N'-(5-OH-salicylaldimine)-diethylenetriamine, HL2 = (N'-(5-Cl-salicylaldimine)-diethylenetriamine, HL3 N'-(5-Br-salicyl-aldimine)-dipropylenetriamine, HL4 = (N'-3,5-Br-salicylaldimine)-dipropylenetriamine, H2TCC = tetrachlorocatechol, and H2TBC = tetrabromocatechol), were prepared and characterized by XRD, EPR, and Mossbauer spectroscopy. The coordination sphere of the Fe(III) in complexes 1-4 is a distorted octahedral with N3O3 donors set which constructed by the Schiff-base ligands and the catecholate substrates of TBC or TCC. The in situ prepared Fe(III) complexes [Fe(L-1)Cl-2], [Fe(L-2)Cl-2], [Fe(L-3)(Cl-2)], and [Fe(L-4)Cl-2] in absence of TBC or TCC show a high catecholase-like activity for the oxidation of 3,5-DTBC to the corresponding quinone 3,5-DTBQ. (C) 2009 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2009.06.038