6',6''-(2-phenylpyrimidine-4,6-diyl)bis(6-methyl-2,2'-bypiridine) | 1234680-12-6

• 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: 6',6''-(2-phenylpyrimidine-4,6-diyl)bis(6-methyl-2,2'-bypiridine)
• 英文别名: 4,6-Bis[6-(6-methylpyridin-2-yl)pyridin-2-yl]-2-phenylpyrimidine
• CAS: 1234680-12-6
• 化学式: C₃₂H₂₄N₆
• 分子量: 492.583
• InChiKey: ATGVLKDRMOPJRA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  38
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  77.3
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  6',6''-(2-phenylpyrimidine-4,6-diyl)bis(6-methyl-2,2'-bypiridine) 、 cobalt(II) chloride 以 二氯甲烷 、 乙腈 为溶剂， 反应 48.0h， 以68%的产率得到
  参考文献：
  名称：

  Mono-, di- and trinuclear complexes of bis(terpyridine) ligand: Synthesis, crystal structures and magnetic properties

  摘要：

  Application of Stille-coupling protocol allowed for synthesis of new bis(terpyridine) ligand L (6',6 ''-(2-phenylpyrimidine-4,6-diyl)bis(6-methyl-2,2'-bipyridine)) which comprises two tridentate N-donor subunits, designed so as to exploit the formation of supramolecular architectures of different nuclearity. Further complexation, while maintaining reaction parameters unaltered, with the following salts: CoCl2 (1), Co(NO3)(2) (2), Cu(NO3)(2) (3) and Mn(ClO4)(2) (4) led to three different classes of compounds: mono-, di- and trinuclear species, the result of self-assembly being contingent on the choice of the metal ion as well as to its corresponding counterion. Single crystal structures of [Co(L)Cl-2] (1), [Co-2(L)(NO3)(4)](CH3CN)(2) (2), [Cu-2(L)(NO3)(4)](CH3CN)(2) (3) and [Mn-3(L)(2)(H2O)(2)(CH3CN)(4)](ClO4)(6)center dot 2H(2)O (4) are presented, together with description of their magnetic behavior. Delusively simple coordination compounds were found to self-assemble into interesting supramolecular architectures in the solid state: 1D pillar-like constituent arranged in the helical manner (1), sheets of isostructural 2 and 3, hydrogen bonded zig-zag shaped chains (4). Magnetic susceptibility measurements made the determination of both antiferromagnetic interactions and metal ions' multiplicity possible. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2013.02.054
• 作为产物：
  描述：

  2-(6-methylpyridin-2-yl)-6-(trimethylstannyl)pyridine 、 解草啶 在 四(三苯基膦)钯 、 lithium chloride 作用下， 以 甲苯 为溶剂， 反应 24.0h， 以64.1%的产率得到6',6''-(2-phenylpyrimidine-4,6-diyl)bis(6-methyl-2,2'-bypiridine)
  参考文献：
  名称：

  Mono-, di- and trinuclear complexes of bis(terpyridine) ligand: Synthesis, crystal structures and magnetic properties

  摘要：

  Application of Stille-coupling protocol allowed for synthesis of new bis(terpyridine) ligand L (6',6 ''-(2-phenylpyrimidine-4,6-diyl)bis(6-methyl-2,2'-bipyridine)) which comprises two tridentate N-donor subunits, designed so as to exploit the formation of supramolecular architectures of different nuclearity. Further complexation, while maintaining reaction parameters unaltered, with the following salts: CoCl2 (1), Co(NO3)(2) (2), Cu(NO3)(2) (3) and Mn(ClO4)(2) (4) led to three different classes of compounds: mono-, di- and trinuclear species, the result of self-assembly being contingent on the choice of the metal ion as well as to its corresponding counterion. Single crystal structures of [Co(L)Cl-2] (1), [Co-2(L)(NO3)(4)](CH3CN)(2) (2), [Cu-2(L)(NO3)(4)](CH3CN)(2) (3) and [Mn-3(L)(2)(H2O)(2)(CH3CN)(4)](ClO4)(6)center dot 2H(2)O (4) are presented, together with description of their magnetic behavior. Delusively simple coordination compounds were found to self-assemble into interesting supramolecular architectures in the solid state: 1D pillar-like constituent arranged in the helical manner (1), sheets of isostructural 2 and 3, hydrogen bonded zig-zag shaped chains (4). Magnetic susceptibility measurements made the determination of both antiferromagnetic interactions and metal ions' multiplicity possible. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2013.02.054