pyridin-4-ylmethyl 3,5-bis(pyridin-4-ylmethoxy)benzoate | 1219806-66-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: pyridin-4-ylmethyl 3,5-bis(pyridin-4-ylmethoxy)benzoate
• CAS: 1219806-66-2
• 化学式: C₂₅H₂₁N₃O₄
• 分子量: 427.459
• InChiKey: WTUOVMAKKYCWCP-UHFFFAOYSA-N

物化性质

• 沸点：
  649.6±50.0 °C(predicted)
• 密度：
  1.267±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.39
• 重原子数：
  32.0
• 可旋转键数：
  9.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  83.43
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  zinc(II) nitrate hexahydrate 、 pyridin-4-ylmethyl 3,5-bis(pyridin-4-ylmethoxy)benzoate 、 N,N-二甲基甲酰胺 以 丙酮 、 乙腈 为溶剂， 以76.92%的产率得到{[Zn(pyridin-4-ylmethyl 3,5-bis(pyridin-4-ylmethoxy)benzoate)(NO₃)₂](H₂O)(DMF)}_n
  参考文献：
  名称：

  Two 2D Coordination Polymers Derived by Tripodal Ligand Pyridin-4-ylmethyl-3,5-bis(pyridin-4-ylmethoxy)benzoate

  摘要：

  The reaction of an arm-non-equivalent tripodal ligand pyridin-4-ylmethyl-3,5-bis-(pyridin- 4-ylmethoxy)benzoate (pbb) with Zn(NO3)(2) and Co(SCN)(2) affords two 2D coordination polymers {[Zn(pbb)(NO3)(2)]center dot(H2O)center dot(DMF)}(n) (1) and {[Co(pbba)(2) (SCN)(2)]center dot(DMF)}(n) (2) (pbba = methyl-3,5-bis(pyridin-4-ylme- thoxy)benzoate). In 1, pbb performs as a three-connector to bridge Zn(NO3)(2) into a 2D brick-wall-like structure. Ligand pbba, originated from pbb in the self-assembly process of 2 under hydrothermal condition, performs as a two connector to bridge Co(SCN)(2) into (4,4) sheet with 2D -> 2D interpenetration.

  DOI：

  10.1080/15533174.2012.749910