2,2'-bis(3-trifluoromethylpyridyl)diselenide | 879280-51-0

• 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: 2,2'-bis(3-trifluoromethylpyridyl)diselenide
• 英文别名: bis(3-trifluoromethylpyridyl)-2,2'-diselenide；(3-CF3-pySe)2；3-(Trifluoromethyl)-2-[[3-(trifluoromethyl)pyridin-2-yl]diselanyl]pyridine；3-(trifluoromethyl)-2-[[3-(trifluoromethyl)pyridin-2-yl]diselanyl]pyridine
• CAS: 879280-51-0
• 化学式: C₁₂H₆F₆N₂Se₂
• 分子量: 450.103
• InChiKey: CRFFCDJOWBYJRP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.79
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  2,2'-bis(3-trifluoromethylpyridyl)diselenide 、 铜 以 乙腈 为溶剂， 生成 [Cu(3-CF3-pySe)]
  参考文献：
  名称：

  Synthesis and X-ray Structures of a Series of Heteroleptic Selenites of Copper

  摘要：

  The reactions of [Cu(R-pySe)], R = H, 3-CF3, With 2,2'-bipyridine or 1,10-phenanthroline in acetonitrile yielded the one-dimensional complexes {[Cu(SeO3)(phen)] center dot 2(H2O)}(n), 1, {[Cu(SeO3)(bipy)]center dot 2(H2O)}(n), 2. Recrystallization of 1 and 2 from a 1:1 methanol/water mixture led to the formation of the dinuclear complexes [Cu(SeO3)(phen)(H2O)](2), 3, and [Cu(SeO3)(bipy)(H2O)](2), 4. Single crystal X-ray diffraction analysis revealed that 1 and 2 have a polymeric structure in which each oxygen atom of the selenite group coordinates to a copper atom. The two other coordination positions are occupied by two nitrogen atoms of the organic ligand, and this defines an almost square pyramidal geometry around the metal. Both compounds show a very weak antiferromagnetic coupling (J = -0.9 for I and -0.6 cm(-1) for 2). Compounds 3 and 4 consist of dinuclear species with the copper atoms lying in a square pyramidal geometry in which the selenite group acts as a bridge between two copper atoms and one oxygen atom is uncoordinated. The two copper ions in 3 show antiferromagnetic coupling with J = -22.1 cm(-1).

  DOI：

  10.1021/ic8019099
• 作为产物：
  描述：

  2-溴-3-三氟甲基吡啶 在 sodium diselenide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 10.0h， 生成 2,2'-bis(3-trifluoromethylpyridyl)diselenide
  参考文献：
  名称：

  具有杂环双齿配体（N，X），X = S，Se的铜（I）和银（I）配合物的合成与表征

  摘要：

  摘要一系列铜和银均质配合物[M（R-pyX）]的合成与结构表征，M = Cu，Ag，X = S，Se; 描述了R ＝ H，3-CF 3，5-CF 3（不是所有组合）。铜化合物以及[Ag（pySe）]和[Ag（3-CF3-pySe）]是通过在包含相应配体的乙腈溶液的电池中通过阳极金属的电化学氧化来合成的。通过AgNO 3与相应配体的盐在甲醇中的直接反应获得了其他均银络合物。另外，金属硫醇盐化合物与双（二苯基膦基）乙烷（dppe）在丙酮中的反应允许合成杂合化合物[M2（R-pyX）2（dppe）3]。所获得的化合物已通过微量分析，红外光谱和质谱进行了表征，如果络合物足够可溶，则通过1 H NMR光谱分析。配体（3-CF3pySe）2（1），（5-CF3-pySe）2（2）和（5-CF3-pySe-DMF）（3）和配合物[Cu（3-CF3-pyS）]（ 4），以结晶产物形式获得[Ag（3-CF3

  DOI：

  10.1016/j.ica.2009.08.012

文献信息

• Synthesis and Characterization of Cobalt Complexes of Heterocyclic Bidentate Ligands (N,X), X= S, Se
  作者：E. Valenzuela、A. Sousa-Pedrares、M. L. Durán-Carril、J. A. García-Vázquez、J. Romero、A. Sousa

  DOI：10.1002/zaac.200700228

  日期：2007.9

  The synthesis and structural characterization of a series of homoleptic cobalt complexes of general formula [Co(R-pyX)3] is reported, where X = S, Se; R = H, 3-CF3 and 5-CF3. The compounds were synthesized by electrochemical oxidation of the metal in a cell containing an acetonitrile solution of the corresponding ligand. When 2,2′-bipyridine (bipy) or 1,10-phenanthroline (phen) were added to the electrolytic

  报道了一系列通式 [Co (R-pyX) 3] 均配钴配合物的合成和结构表征，其中 X = S，Se；R = H、3-CF3 和 5-CF3。这些化合物是通过在含有相应配体的乙腈溶液的电池中电化学氧化金属来合成的。当将 2,2'-联吡啶 (bipy) 或 1,10-菲咯啉 (phen) 加入电解池时，混合钴 (II) 化合物 [Co (R-pyX) 2L] (L = bipy, phen)隔离的。获得的所有配合物均已通过微量分析、振动和电子光谱、FAB 质谱以及在充分溶解的抗磁性化合物的情况下通过 1 H 和 13 C NMR 光谱进行表征。获得[Co(3-CF3-pyS) 3 ]和[Co(5-CF3-pyS) 3 ]的晶体并通过X射线衍射进行研究。
• Synthesis and characterization of ruthenium and osmium complexes of heterocyclic bidentate ligands (N,X), X=S, Se
  作者：Antonio Sousa-Pedrares、Maria Luz Durán、Jaime Romero、José Arturo García-Vázquez、Juan C. Monteagudo、Antonio Sousa、Jonathan R. Dilworth

  DOI：10.1016/j.ica.2005.06.009

  日期：2006.2

  The reaction of [RuCl2(PPh3)(3)] and [OsBr2(PPh3)(3)] precursors with a series of heterocyclic bidentate (N, X) ligands, X = S, Se, gave complexes [M(R-pyS)(2)(PPh3)(2)], (R = H, 3-CF3, 5-CF3, 3-Me3Si);[M(R-pymS)(2)(PPh3)(2)], (R = 4-CF3, 4,6-MeCF3) and [M(R-pySe)(2)(PPh3)(2)], (R = H, 3-CF3, 5-CF3) where M is Ru or Os, pyS and pymS the anions of pyridine-2-thione and pyrimidine-2-thione,respectively, and pySe is the anion produced by the reductive cleavage of the Se-Se bond in the dipyridyl-2,2'-diselenide. All of the compounds obtained were characterized by microanalysis, IR, FAB, NMR spectroscopy and by cyclic voltammetry. Compounds [Ru(3-CF3-pyS)(2)(PPh3)(2)]center dot 2(CH2Cl2) (2), [Ru(3-Me3Si-pyS)(2)(PPh3)(2)] (4), [Ru(4-CF3-pymS)(2)(PPh3)(2)] (5), [Ru(3-CF3-pySe)(2)(PPh3)(2)]center dot 2(CH2Cl2) (8), [Os(3-CF3-pyS)(2)(PPh3)(2)]center dot(CHCl3) (11), [Os(3-Me3Si-PYS)(2)(PPh3)(2)](13), [Os(3-CF3-pySe)(2)(PPh3)(2)]center dot 2(CH2Cl2) (17), [Os(5-CF3-pySe)(2)(PPh3)(2)]center dot(2)(H2O) (18) and [OSCl2(4,6-MeCF3-pymS)(PPh3)(2)](19) were also characterized by X-ray diffraction. In all cases, the metal is in a distorted octahedral environment with the heterocyclic ligand acting as a bidentate (N, S) chelate system. (c) 2005 Elsevier B.V. All rights reserved.
• Synthesis and characterization of copper(I) and silver(I) complexes with heterocyclic bidentate ligands (N, X), X=S, Se
  作者：Antonio Sousa-Pedrares、María Luz Durán-Carril、Jaime Romero、J. Arturo García-Vázquez、Antonio Sousa

  DOI：10.1016/j.ica.2009.08.012

  日期：2010.4

  Abstract The synthesis and structural characterization of series of copper and silver homoleptic complexes [M(R-pyX)], M = Cu, Ag, X = S, Se; R = H, 3-CF3, 5-CF3 (not all combinations), is described. The copper compounds, as well as [Ag(pySe)] and [Ag(3-CF3-pySe)], were synthesised by electrochemical oxidation of anodic metal in a cell containing an acetonitrile solution of the corresponding proligand

  摘要一系列铜和银均质配合物[M（R-pyX）]的合成与结构表征，M = Cu，Ag，X = S，Se; 描述了R ＝ H，3-CF 3，5-CF 3（不是所有组合）。铜化合物以及[Ag（pySe）]和[Ag（3-CF3-pySe）]是通过在包含相应配体的乙腈溶液的电池中通过阳极金属的电化学氧化来合成的。通过AgNO 3与相应配体的盐在甲醇中的直接反应获得了其他均银络合物。另外，金属硫醇盐化合物与双（二苯基膦基）乙烷（dppe）在丙酮中的反应允许合成杂合化合物[M2（R-pyX）2（dppe）3]。所获得的化合物已通过微量分析，红外光谱和质谱进行了表征，如果络合物足够可溶，则通过1 H NMR光谱分析。配体（3-CF3pySe）2（1），（5-CF3-pySe）2（2）和（5-CF3-pySe-DMF）（3）和配合物[Cu（3-CF3-pyS）]（ 4），以结晶产物形式获得[Ag（3-CF3
• Synthesis and X-ray Structures of a Series of Heteroleptic Selenites of Copper
  作者：Antonio Sousa-Pedrares、María Luz Durán、José Arturo García-Vázquez、Jaime Romero、Antonio Sousa、José A. Real

  DOI：10.1021/ic8019099

  日期：2009.5.4

  The reactions of [Cu(R-pySe)], R = H, 3-CF3, With 2,2'-bipyridine or 1,10-phenanthroline in acetonitrile yielded the one-dimensional complexes [Cu(SeO3)(phen)] center dot 2(H2O)}(n), 1, [Cu(SeO3)(bipy)]center dot 2(H2O)}(n), 2. Recrystallization of 1 and 2 from a 1:1 methanol/water mixture led to the formation of the dinuclear complexes [Cu(SeO3)(phen)(H2O)](2), 3, and [Cu(SeO3)(bipy)(H2O)](2), 4. Single crystal X-ray diffraction analysis revealed that 1 and 2 have a polymeric structure in which each oxygen atom of the selenite group coordinates to a copper atom. The two other coordination positions are occupied by two nitrogen atoms of the organic ligand, and this defines an almost square pyramidal geometry around the metal. Both compounds show a very weak antiferromagnetic coupling (J = -0.9 for I and -0.6 cm(-1) for 2). Compounds 3 and 4 consist of dinuclear species with the copper atoms lying in a square pyramidal geometry in which the selenite group acts as a bridge between two copper atoms and one oxygen atom is uncoordinated. The two copper ions in 3 show antiferromagnetic coupling with J = -22.1 cm(-1).