oxalyl bis(3,4-dihydroxybenzylidene) hydrazone | 550299-69-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: oxalyl bis(3,4-dihydroxybenzylidene) hydrazone
• 英文别名: oxalyl bis(3,4-dihydroxybenzylidene)hydrazone；N,N'-bis[(3,4-dihydroxyphenyl)methylideneamino]oxamide
• CAS: 550299-69-9
• 化学式: C₁₆H₁₄N₄O₆
• 分子量: 358.31
• InChiKey: CTBVOYDARNWFLQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  164
• 氢给体数：
  6
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  oxalyl bis(3,4-dihydroxybenzylidene) hydrazone 、 uranyl acetate 在 NaOAc 作用下， 以 乙醇 、 水 为溶剂， 生成 [UO2(oxalyl bis(3,4-dihydroxybenzylidene) hydrazone(2-))(H2O)2]*2H2O
  参考文献：
  名称：

  Ligational, analytical and biological applications on oxalyl bis(3,4-dihydroxybenzylidene) hydrazone

  摘要：

  The molecular modeling and parameters have been calculated to confirm the geometry of oxalyl bis(3,4-dihydroxybenzylidene) hydrazone, H(6)L. The metal complexes of Cr(3+), VO(2+). ZrO(2+), HfO(2+), UO(2)(2+) and MoO(2)(2+) with H(6)L have been prepared and characterized by partial elemental analysis, spectral studies (electronic; IR), thermal analysis and magnetic measurements. The data suggest the formation of polymer complexes with a unit [Cr(H(4)L)(H(2)O)(3)Cl]center dot H(2)O,[VO(H(4)L)(H(2)O)(2)], [Hf(H(4)L)(H(2)O)center dot H(2)O [UO(2)(H(4)L)(H(2)O)(2)]center dot 2H(2)O [MoO(2)(H(4)L)] and [(ZrO)(2)(H(2)L)-(C(2)H(5)OH)(2)]. The ligand behaves as a dibasic bidentate in all complexes except ZrO(2+) which acts as a tetrabasic tetradentate with the two ZrO(2+) ions. An octahedral geometry was proposed for the Cr(3+), HfO(2+), MoO(2)(2+) and UO(2)(2+) complexes and square pyramid for VO(2+). The Cr(3+) is necessary to degrade the DNA of eukaryotic subject completely; the other complexes have little effect. H(6)L was found suitable as a new reagent for the separation and preconcentration of ZrO(2+) ions from different water samples using flotation technique with satisfactory results. (c) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2010.05.026
• 作为产物：
  描述：

  乙二酸二酰肼 、 3,4-二羟基苯甲醛 以 乙醇 为溶剂， 反应 24.0h， 以79%的产率得到oxalyl bis(3,4-dihydroxybenzylidene) hydrazone
  参考文献：
  名称：

  Ligational, analytical and biological applications on oxalyl bis(3,4-dihydroxybenzylidene) hydrazone

  摘要：

  The molecular modeling and parameters have been calculated to confirm the geometry of oxalyl bis(3,4-dihydroxybenzylidene) hydrazone, H(6)L. The metal complexes of Cr(3+), VO(2+). ZrO(2+), HfO(2+), UO(2)(2+) and MoO(2)(2+) with H(6)L have been prepared and characterized by partial elemental analysis, spectral studies (electronic; IR), thermal analysis and magnetic measurements. The data suggest the formation of polymer complexes with a unit [Cr(H(4)L)(H(2)O)(3)Cl]center dot H(2)O,[VO(H(4)L)(H(2)O)(2)], [Hf(H(4)L)(H(2)O)center dot H(2)O [UO(2)(H(4)L)(H(2)O)(2)]center dot 2H(2)O [MoO(2)(H(4)L)] and [(ZrO)(2)(H(2)L)-(C(2)H(5)OH)(2)]. The ligand behaves as a dibasic bidentate in all complexes except ZrO(2+) which acts as a tetrabasic tetradentate with the two ZrO(2+) ions. An octahedral geometry was proposed for the Cr(3+), HfO(2+), MoO(2)(2+) and UO(2)(2+) complexes and square pyramid for VO(2+). The Cr(3+) is necessary to degrade the DNA of eukaryotic subject completely; the other complexes have little effect. H(6)L was found suitable as a new reagent for the separation and preconcentration of ZrO(2+) ions from different water samples using flotation technique with satisfactory results. (c) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2010.05.026

文献信息

• Ligational, analytical and biological applications on oxalyl bis(3,4-dihydroxybenzylidene) hydrazone
  作者：Ahmed A. El-Asmy、O.A. El-Gammal、H.A. Radwan、S.E. Ghazy

  DOI：10.1016/j.saa.2010.05.026

  日期：2010.9

  The molecular modeling and parameters have been calculated to confirm the geometry of oxalyl bis(3,4-dihydroxybenzylidene) hydrazone, H(6)L. The metal complexes of Cr(3+), VO(2+). ZrO(2+), HfO(2+), UO(2)(2+) and MoO(2)(2+) with H(6)L have been prepared and characterized by partial elemental analysis, spectral studies (electronic; IR), thermal analysis and magnetic measurements. The data suggest the formation of polymer complexes with a unit [Cr(H(4)L)(H(2)O)(3)Cl]center dot H(2)O,[VO(H(4)L)(H(2)O)(2)], [Hf(H(4)L)(H(2)O)center dot H(2)O [UO(2)(H(4)L)(H(2)O)(2)]center dot 2H(2)O [MoO(2)(H(4)L)] and [(ZrO)(2)(H(2)L)-(C(2)H(5)OH)(2)]. The ligand behaves as a dibasic bidentate in all complexes except ZrO(2+) which acts as a tetrabasic tetradentate with the two ZrO(2+) ions. An octahedral geometry was proposed for the Cr(3+), HfO(2+), MoO(2)(2+) and UO(2)(2+) complexes and square pyramid for VO(2+). The Cr(3+) is necessary to degrade the DNA of eukaryotic subject completely; the other complexes have little effect. H(6)L was found suitable as a new reagent for the separation and preconcentration of ZrO(2+) ions from different water samples using flotation technique with satisfactory results. (c) 2010 Elsevier B.V. All rights reserved.