1,2-bis[4-(3-pyridyl)pyrimidinylthiomethyl]benzene | 1043004-35-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 1,2-bis[4-(3-pyridyl)pyrimidinylthiomethyl]benzene
• 英文别名: Bis[4-(3-pyridyl)pyrimidinylthiomethyl]benzene；4-pyridin-3-yl-2-[[2-[(4-pyridin-3-ylpyrimidin-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]pyrimidine
• CAS: 1043004-35-8
• 化学式: C₂₆H₂₀N₆S₂
• 分子量: 480.617
• InChiKey: OSULEWMGDABXRB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  34
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  128
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  1,2-bis[4-(3-pyridyl)pyrimidinylthiomethyl]benzene 、 mercury(II) diacetate 以 甲醇 为溶剂， 以63%的产率得到[Hg(1,2-bis[4-(3-pyridyl)pyrimidinylthiomethyl]benzene)0.5(acetate)2]
  参考文献：
  名称：

  Metallosupramolecular silver and mercury complexes constructed from two bis[4-(3-pyridyl)pyrimidinylthiomethyl]benzenes: Effect of positional isomerism of ligands and metal ions

  摘要：

  [Ag2L2(NO3)(2)](n) (1), [(HgL0.5OAc2)-O-2](n) (2), [(HgLI2)-I-2](n) (3), [Ag3L23 (NO3)(3)](n) (4) and [(HgLI2)-I-3](n) (5) were assembled by the reactions of L-2 and L-3 (L-2 = 1,2-bis[4-(3-pyridyl)pyrimidinylthiomethyl]benzene, L-3 = 1,3-bis[4-(3-pyridyl)pyrimidinylthiomethyl]benzene) with AgNO3, Hg(OAc)(2) and HgI2. The structural motifs of these complexes are multiform, from 3D interpenetrating networks and corrugated 2D networks to a I D single stranded helix. It is found that conformation changes of the ligands after interaction with the metal salts occur due to positional isomerism of the xylyl groups and the effect of the metal ions. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2008.04.016