2-pyridinyl-2-pyrazinylmethanone

• 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: 2-pyridinyl-2-pyrazinylmethanone
• 英文别名: Pyrazin-2-yl(pyridin-2-yl)methanone
• 化学式: C₁₀H₇N₃O
• 分子量: 185.185
• InChiKey: DQUKLYSGOASKRN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  55.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  silver(I) nitrite 、 2-pyridinyl-2-pyrazinylmethanone 以 甲醇 为溶剂， 以51%的产率得到[Ag(2-pyridinyl-2-pyrazinylmethanone)(NO₂)]_∞
  参考文献：
  名称：

  New pyridyl-pyrazinyl ketones as ligands for Cu(II), Ag(I), Zn(II) and Cd(II) complexes: Anion-dependent hydrolysis of 2,2′-pyridyl-pyrazinyl ketone and unvaried neat forms of its positional isomers

  摘要：

  A series of Cu(II), Ag(I), Zn(II) and Cd(II) complexes of new pyridyl-pyrazinyl ketones 2-pyridinyl-2-pyrazinylmethanone (abbreviated as L1), 3-pyridinyl-2-pyrazinylmethanone (L2) and 4-pyridinyl-2-pyrazinylmethanone (L3) has been synthesized and characterized by single crystal X-ray analysis. L1 can takes not only its neat ketone form in [Ag(L1)(NO2)](infinity) (1), but also the gem-diol form (L1(a)) in [Ag(L1(a))(CF3CO2)](infinity) (2) and [Cu(L1(a))(2)](BF4)(2)center dot 4H(2)O (3) via in-situ metal-promoted nucleophilic reaction. L2 and L3 preferentially adopt their ketone forms in zinc(II) and cadmium(II) complexes [Zn(L2)(2)Cl-2] (4), [Cd(L2)(2)(NO3)(2)(H2O)(2)] (5), {[Cd(L2)(2)(H2O)(2)](BF4)(2)center dot 4H(2)O}(infinity) (6), {[Cd(L2)(2)(H2O)(2)](ClO4)(2)center dot 4H(2)O}(infinity) (7), [Cd(L3)(2)(H2O)(4)](NO3)(2) (8) and {[Cd-4(L3)(4)(ClO4)(2)](ClO4)(6)center dot 13H(2)O}(infinity) (9). The ligand behavior of L1-L3 incomplexes 1-9 are compared to that of di-2-pyridinylmethanone and its positional isomers. The metal-promoted nucleophilic reaction mechanism involving the carbonyl group in coordination complexes of the pyridyl ketone family is probed and discussed. Supramolecular architectures of complexes 1-9 with the various ketones are also observed and discussed. (C) 2015 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2015.03.028
• 作为产物：
  描述：

  2-溴吡啶 、 methyl 2-pyrazine carbonate 在 正丁基锂 作用下， 以30%的产率得到2-pyridinyl-2-pyrazinylmethanone
  参考文献：
  名称：

  New pyridyl-pyrazinyl ketones as ligands for Cu(II), Ag(I), Zn(II) and Cd(II) complexes: Anion-dependent hydrolysis of 2,2′-pyridyl-pyrazinyl ketone and unvaried neat forms of its positional isomers

  摘要：

  A series of Cu(II), Ag(I), Zn(II) and Cd(II) complexes of new pyridyl-pyrazinyl ketones 2-pyridinyl-2-pyrazinylmethanone (abbreviated as L1), 3-pyridinyl-2-pyrazinylmethanone (L2) and 4-pyridinyl-2-pyrazinylmethanone (L3) has been synthesized and characterized by single crystal X-ray analysis. L1 can takes not only its neat ketone form in [Ag(L1)(NO2)](infinity) (1), but also the gem-diol form (L1(a)) in [Ag(L1(a))(CF3CO2)](infinity) (2) and [Cu(L1(a))(2)](BF4)(2)center dot 4H(2)O (3) via in-situ metal-promoted nucleophilic reaction. L2 and L3 preferentially adopt their ketone forms in zinc(II) and cadmium(II) complexes [Zn(L2)(2)Cl-2] (4), [Cd(L2)(2)(NO3)(2)(H2O)(2)] (5), {[Cd(L2)(2)(H2O)(2)](BF4)(2)center dot 4H(2)O}(infinity) (6), {[Cd(L2)(2)(H2O)(2)](ClO4)(2)center dot 4H(2)O}(infinity) (7), [Cd(L3)(2)(H2O)(4)](NO3)(2) (8) and {[Cd-4(L3)(4)(ClO4)(2)](ClO4)(6)center dot 13H(2)O}(infinity) (9). The ligand behavior of L1-L3 incomplexes 1-9 are compared to that of di-2-pyridinylmethanone and its positional isomers. The metal-promoted nucleophilic reaction mechanism involving the carbonyl group in coordination complexes of the pyridyl ketone family is probed and discussed. Supramolecular architectures of complexes 1-9 with the various ketones are also observed and discussed. (C) 2015 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2015.03.028

文献信息

• Light emitting element and iridium complex
  申请人：UDC Ireland Limited

  公开号：EP1398363B1

  公开（公告）日：2016-03-23
• POLYCYCLIC PYRIDINES AS POTASSIUM ION CHANNEL MODULATORS
  申请人：Icagen, Inc.

  公开号：EP1737852A2

  公开（公告）日：2007-01-03
• US7303826B2
  申请人：——

  公开号：US7303826B2

  公开（公告）日：2007-12-04
• [EN] POLYCYCLIC PYRIDINES AS POTASSIUM ION CHANNEL MODULATORS<br/>[FR] PYRIDINES POLYCYCLIQUES EN TANT QUE MODULATEURS DE CANAL IONIQUE DU POTASSIUM
  申请人：ICAGEN INC

  公开号：WO2005100349A2

  公开（公告）日：2005-10-27

  The present invention provides a genus of polycyclic pyridines that are useful as modulators of potassium ion channels. The modulators of the invention are of use in both therapeutic and diagnostic methods.