diethyl 6-phenyl-2,2'-bipyridin-4-ylphosphonate | 1229574-91-7

• 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: diethyl 6-phenyl-2,2'-bipyridin-4-ylphosphonate
• 英文别名: Diethyl 6-phenyl-2,2'-bipyridine-4-phosphonate；4-diethoxyphosphoryl-2-phenyl-6-pyridin-2-ylpyridine
• CAS: 1229574-91-7
• 化学式: C₂₀H₂₁N₂O₃P
• 分子量: 368.372
• InChiKey: SQEVPMUXIVTODA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  26
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  61.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  六氟磷酸钾 、 Ru(tpy)(Cl)₃ 、 diethyl 6-phenyl-2,2'-bipyridin-4-ylphosphonate 在 N-methylmorpholine 作用下， 以 甲醇 、 水 为溶剂， 以46%的产率得到[ruthenium(II)(Et2O3PC5H2N(C5H4N)(C6H4)(tpy)]PF6
  参考文献：
  名称：

  Cyclo-ruthenated and -platinated complexes bearing phosphonate substituents

  摘要：

  Two new, potentially cyclometalating terdentate ligands bearing phosphonate substituents, Et2O3P-N boolean AND C(H)boolean AND N(5) and Et2O3P-C(H)boolean AND N boolean AND N (7), have been prepared. The corresponding ruthenium complexes, [1](+) and [2](+), respectively, were obtained by reaction with [RuCl3(tpy)]. Complexes [1](+) and [2](+) display electronic properties characteristic for cyclometalated ruthenium complexes. The platinum complex [3], of N boolean AND C(H)boolean AND N ligand 5, was also prepared and is highly phosphorescent in solution. In general, the phosphonate group electronically behaves equivalent to a carboxylate moiety. (C) 2009 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2009.12.008
• 作为产物：
  描述：

  diethyl 3-oxo-3-phenylpropenylphosphonate 、 N-{1-(2'-pyridyl)-1-oxo-2-ethyl}pyridinium iodide 在 ammonium acetate 作用下， 以 甲醇 为溶剂， 反应 3.0h， 以63%的产率得到diethyl 6-phenyl-2,2'-bipyridin-4-ylphosphonate
  参考文献：
  名称：

  Cyclo-ruthenated and -platinated complexes bearing phosphonate substituents

  摘要：

  Two new, potentially cyclometalating terdentate ligands bearing phosphonate substituents, Et2O3P-N boolean AND C(H)boolean AND N(5) and Et2O3P-C(H)boolean AND N boolean AND N (7), have been prepared. The corresponding ruthenium complexes, [1](+) and [2](+), respectively, were obtained by reaction with [RuCl3(tpy)]. Complexes [1](+) and [2](+) display electronic properties characteristic for cyclometalated ruthenium complexes. The platinum complex [3], of N boolean AND C(H)boolean AND N ligand 5, was also prepared and is highly phosphorescent in solution. In general, the phosphonate group electronically behaves equivalent to a carboxylate moiety. (C) 2009 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2009.12.008