3-(2-pyridyl)-5-(2,2':5',2''-terthien-3'-yl)pyrazole | 1350566-19-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 双噻吩和低聚噻吩
• 英文名称: 3-(2-pyridyl)-5-(2,2':5',2''-terthien-3'-yl)pyrazole
• CAS: 1350566-19-6
• 化学式: C₂₀H₁₃N₃S₃
• 分子量: 391.541
• InChiKey: QZEJKQWEBVJLNG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.66
• 重原子数：
  26.0
• 可旋转键数：
  4.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  41.57
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  nickel(II) tetrafluoroborate hexahydrate 、 (Bu₄N)[Fe(CN)₃(tp*)] 、 四苯硼钠 、 3-(2-pyridyl)-5-(2,2':5',2''-terthien-3'-yl)pyrazole 以 甲醇 、 丙酮 为溶剂， 以86%的产率得到[Fe2Ni2(CN)6(tris(3,5-dimethylpyrazol-1-yl)borohydride)2(3-(2-pyridyl)-5-(2,2':5',2''-terthien-3'-yl)pyrazole)4](BPh4)2*3H2O
  参考文献：
  名称：

  Cyanide bridged tetranuclear complex with a novel terthiophene based ligand

  摘要：

  A new terthiophene based ligand (L = 3-(2-pryridyl)-5-(2,2':5',2 ''-terthien-3'-yl) pyrazole was synthesized. The reaction of Ni(BF4)(2)center dot 6H(2)O, L and nBu(4)N[Fe(CN)(3)tpl(+)] (tp(+) = tris(3,5-dimethylpyrazol-1-yl)borohyrdide) with NaBPh4 in MeOH/acetone yielded a cyanide bridged tetranuclear complex [Fe2Ni2(CN)(6)(tp(+))(2)(L-4](BPh4)(2) (1). The electrochemical properties of both 1 and L were investigated, and magnetic susceptibility measurements of 1 were conducted, revealing that ferromagnetic interactions were operative within the tetranuclear core. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2011.04.035