N,N',N'',N'''-tetrakis(5-tert-butyl-2-hydroxybenzyl)-1,2-diaminoethane | 1093512-25-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N,N',N'',N'''-tetrakis(5-tert-butyl-2-hydroxybenzyl)-1,2-diaminoethane
• 英文别名: 2-[[2-[Bis[(5-tert-butyl-2-hydroxyphenyl)methyl]amino]ethyl-[(5-tert-butyl-2-hydroxyphenyl)methyl]amino]methyl]-4-tert-butylphenol
• CAS: 1093512-25-4
• 化学式: C₄₆H₆₄N₂O₄
• 分子量: 709.025
• InChiKey: KNZITVZNTCIOPB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.5
• 重原子数：
  52
• 可旋转键数：
  15
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  87.4
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  zirconium(IV) tetraisopropoxide 、 N,N',N'',N'''-tetrakis(5-tert-butyl-2-hydroxybenzyl)-1,2-diaminoethane 以 氯仿 为溶剂， 生成 Zr(N,N',N'',N'''-tetrakis(5-tert-butyl-2-hydroxybenzyl)-1,2-diaminoethane-4H)
  参考文献：
  名称：

  Zirconium complexes of amino(polyphenolic) ligands and their hydrolytic stability

  摘要：

  Three amino(polyphenolic) ligands, N,N'-bis(5-tert-butyl-2-hydroxybenzyl)-1,2-diaminoethane 1, tris(5-tert-butyl-2-hydroxy-3-methylbenzyl)amine 3, its 3-chloro analogue 4 and their Zr-IV complexes have been synthesised. The crystal structure of the Zr-IV complex of tris (5-tert-butyl-3-chloro-2-hydroxybenzyl)amine, shows this to be [Zr(4-2H)(2)] in which both ligands exists in a zwitterionic form with one alkylarnmonium and three phenolate groups. The complexes are stable in a two phase, chloroform/water, system at high pH, but the zirconium is stripped at pH < 2.5. The pH value needed to strip 50% of the Zr-IV from the complex [Zr(1-4H)] of the tetraphenolic ligand is similar to 2.0 whilstthe complexes [Zr(3-2H)(2)]and [Zr(4-2H)(2)] of the triphenolic ligands are slightly more stable with pH(1/2) values of similar to 1.4. We were unable to use the ligands to extract zirconium from low pH aqueous zirconium oxychloride solutions into an organic phase under a variety of conditions. (c) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2007.06.004