2,4,6-tri(3-carboxyphenylthio)-1,3,5-triazine | 1312883-96-7

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2,4,6-tri(3-carboxyphenylthio)-1,3,5-triazine
• 英文别名: 3-[[4,6-Bis[(3-carboxyphenyl)sulfanyl]-1,3,5-triazin-2-yl]sulfanyl]benzoic acid；3-[[4,6-bis[(3-carboxyphenyl)sulfanyl]-1,3,5-triazin-2-yl]sulfanyl]benzoic acid
• CAS: 1312883-96-7
• 化学式: C₂₄H₁₅N₃O₆S₃
• 分子量: 537.598
• InChiKey: YXIXLAHOOVIWBJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  36
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  227
• 氢给体数：
  3
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  manganese (II) nitrate tetrahydrate 、 2,4,6-tri(3-carboxyphenylthio)-1,3,5-triazine 、 水 在 NaOH 作用下， 以 水 为溶剂， 以65%的产率得到[Mn12(2,4,6-tri(3-carboxyphenylthio)-1,3,5-triazine(-3H))8(H2O)30]*10H2O
  参考文献：
  名称：

  Two MnII coordination polymers with a triazine-based polycarboxylate ligand: pH value influence, crystal structures and magnetic properties

  摘要：

  Two new coordination compounds, [Mn(HL)(H2O)(2)](n) (1) and {[Mn-12(L)(8)( H2O)(30)]center dot 10H(2)O}(n) (2) were successfully synthesized by using a hydrothermal technique under different pH values and characterized by single-crystal X-ray diffraction. 1 formed at lower pH value (6.0) exhibits 2D lamellar framework which is further connected by hydrogen-bond interactions to construct a 3D supramolecular architecture. Reaction at pH = 7.5 leads to a 2D layered structure of 2, which are formed through the interconnection of the dodecanuclear units and the completely depronated ligands. It is comprehensible that the pH value plays a crucial role in the formation of the resulting structures. Variable temperature magnetic studies down to 2 K reveal antiferromagnetic interactions in complexes 1 and 2. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2011.12.035

文献信息

• Two MnII coordination polymers with a triazine-based polycarboxylate ligand: pH value influence, crystal structures and magnetic properties
  作者：Chaojun Shen、Tianlu Sheng、Chongbin Tian、Qilong Zhu、Xintao Wu

  DOI：10.1016/j.inoche.2011.12.035

  日期：2012.3

  Two new coordination compounds, [Mn(HL)(H2O)(2)](n) (1) and [Mn-12(L)(8)( H2O)(30)]center dot 10H(2)O}(n) (2) were successfully synthesized by using a hydrothermal technique under different pH values and characterized by single-crystal X-ray diffraction. 1 formed at lower pH value (6.0) exhibits 2D lamellar framework which is further connected by hydrogen-bond interactions to construct a 3D supramolecular architecture. Reaction at pH = 7.5 leads to a 2D layered structure of 2, which are formed through the interconnection of the dodecanuclear units and the completely depronated ligands. It is comprehensible that the pH value plays a crucial role in the formation of the resulting structures. Variable temperature magnetic studies down to 2 K reveal antiferromagnetic interactions in complexes 1 and 2. (C) 2012 Elsevier B.V. All rights reserved.