3-[5-[(2,3-Dihydroxy-5-sulfobenzoyl)amino]pentylcarbamoyl]-4,5-dihydroxybenzenesulfonic acid | 1045707-82-1

• 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: 3-[5-[(2,3-Dihydroxy-5-sulfobenzoyl)amino]pentylcarbamoyl]-4,5-dihydroxybenzenesulfonic acid
• 英文别名: 3-[5-[(2,3-dihydroxy-5-sulfobenzoyl)amino]pentylcarbamoyl]-4,5-dihydroxybenzenesulfonic acid
• CAS: 1045707-82-1
• 化学式: C₁₉H₂₂N₂O₁₂S₂
• 分子量: 534.522
• InChiKey: VESHFRNOFVEEEC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  35
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  265
• 氢给体数：
  8
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  N,N'-bis(2,3-dihydroxybenzoyl)-1,4-diaminopentane 在 硫酸 作用下， 以79%的产率得到3-[5-[(2,3-Dihydroxy-5-sulfobenzoyl)amino]pentylcarbamoyl]-4,5-dihydroxybenzenesulfonic acid
  参考文献：
  名称：

  Sequestering agent for uranyl chelation: a new family of CAMS ligands

  摘要：

  The synthesis of new dipodal bis-sulfocatecholamide uranophiles is presented. Their binding abilities for uranyl cation were determined by UV spectro photometry in aqueous media under various pH conditions and further studied by H-1 NMR analysis of the resonance signal of both aromatic protons of the sulfocatecholamide groups. The results showed that the efficiency of these hydrosoluble chelating agents depends on the nature of the spacers. Each ligand shows a more or less pronounced affinity for uranium. The best receptor is the ligand CYCAMS 5d obtained as a mixture of cis/trans isomers, which achieves the best compromise between rigidity and steric hindrance. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.05.021

文献信息

• Sequestering agent for uranyl chelation: a new family of CAMS ligands
  作者：Antoine Leydier、Delphine Lecerclé、Stéphane Pellet-Rostaing、Alain Favre-Reguillon、Frédéric Taran、Marc Lemaire

  DOI：10.1016/j.tet.2008.05.021

  日期：2008.7

  The synthesis of new dipodal bis-sulfocatecholamide uranophiles is presented. Their binding abilities for uranyl cation were determined by UV spectro photometry in aqueous media under various pH conditions and further studied by H-1 NMR analysis of the resonance signal of both aromatic protons of the sulfocatecholamide groups. The results showed that the efficiency of these hydrosoluble chelating agents depends on the nature of the spacers. Each ligand shows a more or less pronounced affinity for uranium. The best receptor is the ligand CYCAMS 5d obtained as a mixture of cis/trans isomers, which achieves the best compromise between rigidity and steric hindrance. (C) 2008 Elsevier Ltd. All rights reserved.