4,4'-bis(1-naphthylthiourea)biphenyl

• 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: 4,4'-bis(1-naphthylthiourea)biphenyl
• 英文别名: N'-naphthalen-1-yl-N-[4-[4-[(N-naphthalen-1-yl-C-sulfanylcarbonimidoyl)amino]phenyl]phenyl]carbamimidothioic acid
• 化学式: C₃₄H₂₆N₄S₂
• 分子量: 554.739
• InChiKey: ALSPCIFDEQCOMB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.2
• 重原子数：
  40
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  50.8
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-萘异硫氰酸酯 、 联苯胺 以 四氢呋喃 为溶剂， 反应 2.0h， 以88%的产率得到4,4'-bis(1-naphthylthiourea)biphenyl
  参考文献：
  名称：

  Relationship between ligand conformations and complexation properties in ditopic biphenyl thioureas

  摘要：

  Four new homoditopic biphenyl thiourea derivatives have been prepared to be used in carboxylate sensing. Experiments carried out with these ligands have demonstrated that the conformation of the free ligand has a strong influence on both complex stoichiometry and geometry. High equilibrium constants were obtained in DMSO. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.05.082

文献信息

• Relationship between ligand conformations and complexation properties in ditopic biphenyl thioureas
  作者：Ana M. Costero、Pablo Gaviña、Gemma M. Rodríguez-Muñiz、Salvador Gil

  DOI：10.1016/j.tet.2007.05.082

  日期：2007.8

  Four new homoditopic biphenyl thiourea derivatives have been prepared to be used in carboxylate sensing. Experiments carried out with these ligands have demonstrated that the conformation of the free ligand has a strong influence on both complex stoichiometry and geometry. High equilibrium constants were obtained in DMSO. (C) 2007 Elsevier Ltd. All rights reserved.