1,3-Bis(3,2’:6’,3”-terpyridin-4’-yl)benzene | 1116081-82-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 1,3-Bis(3,2’:6’,3”-terpyridin-4’-yl)benzene
• 英文别名: 1,4-bis-(3,2′:6′,3″-terpyridin-4′-yl)benzene；4-[4-(2,6-Dipyridin-3-ylpyridin-4-yl)phenyl]-2,6-dipyridin-3-ylpyridine；4-[4-(2,6-dipyridin-3-ylpyridin-4-yl)phenyl]-2,6-dipyridin-3-ylpyridine
• CAS: 1116081-82-3
• 化学式: C₃₆H₂₄N₆
• 分子量: 540.627
• InChiKey: PWMPNVQNFQRYRB-UHFFFAOYSA-N

物化性质

• 沸点：
  750.9±55.0 °C(Predicted)
• 密度：
  1.227±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  42
• 可旋转键数：
  6
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.0
• 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：

  bis(nitrato)(N,N,N',N'-tetramethylethylenediamine)palladium(II) 、 1,3-Bis(3,2’:6’,3”-terpyridin-4’-yl)benzene 以 甲醇 、 水 为溶剂， 反应 12.0h， 生成 12NO₃^(1-)*C₁₄₄H₁₆₈N₃₀Pd₆⁽¹²⁺⁾
  参考文献：
  名称：

  Conformation-Selective Self-Assembly of Pd₆ Trifacial Molecular Barrels Using a Tetrapyridyl Ligand

  摘要：

  DOI：

  10.1021/acs.inorgchem.2c01081
• 作为产物：
  描述：

  3-乙酰基吡啶 、 对苯二甲醛 在 氨 、 potassium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 4.0h， 以26%的产率得到1,3-Bis(3,2’:6’,3”-terpyridin-4’-yl)benzene
  参考文献：
  名称：

  Bis(3-cyano-pentane-2,4-dionato) Co(II) as a linear building block for coordination polymers: combinations with two polypyridines

  摘要：

  Two types of bis(beta-diketonato) Co(II) complexes, [Co(CNacac)(2)] (CNacac=3-cyano-pentane-2,4-dionato), and [Co(dbm)(2)] (dbm=dibenzoylmethanato or 1,3-diphenyl-propane-1,3-dionato) were examined as linear building blocks for the construction of coordination polymers in combination with two oligopyridines, 1,4-bis(4,2':6',4 ''-terpyridin-4'-yl)benzene (L1) and 1,3-bis(3,2':6',3 ''-terpyridin-4'-yl)benzene) (L2). From combinations of [Co(CNacac)(2)] with L1 and L2, 2-D coordination polymers, [Co(CNacac)(2)](2)(L1)center dot(CHCl3)center dot(CH3OH) (CoCN-1) and [Co(CNacac)(2)](L2)(1/2)center dot(tetrachloroethane)(3/2) (CoCN-2), are obtained. Both CoCN-1 and CoCN-2 have 2D (4,4) net structures, in which L1 and L2 are tetradentate. In contrast, combination of [Co(dbm)(2)] with L2 affords a 1-D coordination polymer, [Co(dbm)(2)](L2)center dot 4(CH3OH) (Codbm-1), in which L2 is bidentate. L2 as a tetradentate ligand was inhibited by bulky phenyl rings in [Co(dbm)(2)]. These results indicate that [Co(CNacac)(2)] with a relatively simplified structure is useful as a linear building block in combinations with bulky oligopyridines.

  DOI：

  10.1080/00958972.2013.800865

文献信息

• Bis(3-cyano-pentane-2,4-dionato) Co(II) as a linear building block for coordination polymers: combinations with two polypyridines
  作者：Jun Yoshida、Shin-ichi Nishikiori、Hidetaka Yuge

  DOI：10.1080/00958972.2013.800865

  日期：2013.6.1

  Two types of bis(beta-diketonato) Co(II) complexes, [Co(CNacac)(2)] (CNacac=3-cyano-pentane-2,4-dionato), and [Co(dbm)(2)] (dbm=dibenzoylmethanato or 1,3-diphenyl-propane-1,3-dionato) were examined as linear building blocks for the construction of coordination polymers in combination with two oligopyridines, 1,4-bis(4,2':6',4 ''-terpyridin-4'-yl)benzene (L1) and 1,3-bis(3,2':6',3 ''-terpyridin-4'-yl)benzene) (L2). From combinations of [Co(CNacac)(2)] with L1 and L2, 2-D coordination polymers, [Co(CNacac)(2)](2)(L1)center dot(CHCl3)center dot(CH3OH) (CoCN-1) and [Co(CNacac)(2)](L2)(1/2)center dot(tetrachloroethane)(3/2) (CoCN-2), are obtained. Both CoCN-1 and CoCN-2 have 2D (4,4) net structures, in which L1 and L2 are tetradentate. In contrast, combination of [Co(dbm)(2)] with L2 affords a 1-D coordination polymer, [Co(dbm)(2)](L2)center dot 4(CH3OH) (Codbm-1), in which L2 is bidentate. L2 as a tetradentate ligand was inhibited by bulky phenyl rings in [Co(dbm)(2)]. These results indicate that [Co(CNacac)(2)] with a relatively simplified structure is useful as a linear building block in combinations with bulky oligopyridines.
• Conformation-Selective Self-Assembly of Pd₆ Trifacial Molecular Barrels Using a Tetrapyridyl Ligand
  作者：Prodip Howlader、Shakil Ahmed、Surajit Mondal、Ennio Zangrando、Partha Sarathi Mukherjee

  DOI：10.1021/acs.inorgchem.2c01081

  日期：2022.5.30