biscarbonylbischloro(1-methyl-3-(pyridin-2-yl)-1,2,4-triazole)ruthenium | 127685-24-9

• 英文名称: biscarbonylbischloro(1-methyl-3-(pyridin-2-yl)-1,2,4-triazole)ruthenium
• CAS: 127685-24-9；879130-38-8
• 化学式: C₁₀H₈Cl₂N₄O₂Ru
• 分子量: 388.175
• InChiKey: SLMFVYZOVQSLEW-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  biscarbonylbischloro(1-methyl-3-(pyridin-2-yl)-1,2,4-triazole)ruthenium 在 H₂O 、 H₂SO₄ 作用下， 以 甲醇 、 丙酮 为溶剂， 生成 carbonyl(H2O)bis(1-methyl-3-(pyridin-2-yl)-1,2,4-triazole)ruthenium (hexafluorophosphate)2
  参考文献：
  名称：

  顺式-羰基氯双[1-甲基-3-（吡啶-2-基）-1,2,4-三唑-N 4 N ']六氟磷酸钌的合成，表征，反应性和X射线结构

  摘要：

  化合物[Ru（L'L'）2（CO）Cl] PF 6 [L-L'= 1-甲基-3-（吡啶-2-基）-1,2,4-三唑]三氯化钌和吡啶基三唑配体在二甲基甲酰胺中的高收率，是配位异构体的混合物。这些异构体之一是使用结晶技术获得的，并在单斜晶空间群P 2 1 / n中结晶，其晶胞参数为a = 11.085（1），b = 13.120（2），c = 16.108（2）Å，β= 97.17（1）°，Z =4。金属阳离子的CO和Cl均为顺式，三唑环通过其N与钌中心键合4个氮原子。CO基团和Cl基团被转导到吡啶基三唑配体的三唑环上。钌氮的平均距离为2.09Å。从该化合物中获得了[Ru（L'L'）（CO）L] +，其中L = NCS –或H –。所有化合物均已通过光谱，电化学和高效液相色谱法进行了表征。结果，特别是获得标题化合物的高收率，强烈表明吡啶基三唑配体是比2,2'-联吡啶基更弱的π受体。

  DOI：

  10.1039/dt9900000121
• 作为产物：
  描述：

  dicarbonyldichlororuthenium 、 2-(1-methyl-4H-[1,2,4]-triazol-3'-yl)-pyridine 以 甲醇 为溶剂， 以59%的产率得到biscarbonylbischloro(1-methyl-3-(pyridin-2-yl)-1,2,4-triazole)ruthenium
  参考文献：
  名称：

  Synthesis and characterisation of a series of mononuclear ruthenium(II) carbonyl complexes of heterocycle-based asymmetric bidentate ligands

  摘要：

  In this contribution, the synthesis and characterisation of a series of complexes of the type [Ru(L-L')(CO)(2)Cl-2] are reported, where L-L' are the chelating ligands L1-L8, 2-(4H-[1,2,4]triazol-3'-yl)-pyridine (L1); 2-(4H-[1,2,4]triazol-3'-yl)-pyrazine; (L2); 2(1-methyl-4H-[1,2,4]-triazol-3-yl)pyridine (L3); 2-(5-pyridin-2-yl-4H-[1,2,4]-triazole-3-yl)phenol (L4); 3-(5-methylphenyl)-pyridin-2-yl-1,2,4-triazole (U); 3-(4-methylphenyl)-pyridin-2-yl-1,2,4-triazole (L5); 3-(4-methoxyphenyl)-pyridin-2-yl-1,2,4-triazole (L6); 3,6-bis[(4-methoxyphenyl)iminomethyl]pyridazine (L8). L1-L7 are triazole-based ligands, which provide two distinct bidentate coordinate modes (via N2 or N4 of the triazole) whereas L8 is pyridazine-based and contains two identical bidentate binding pockets. The products obtained are analysed using infrared and NMR spectroscopy. The X-ray and molecular structures of the complexes with the ligands L2, L6, L7 and L8 are reported. These structures are the first to be reported for triazole based ruthenium chloro and ruthenium pyridazine imine complexes. The data show that the triazole ring in L2, L6 and L7 is coordinated via the N2 atom, and that the pyridazine-based ligand L8 uses only one binding pocket hence accommodating only one ruthenium(II) centre. For all compounds the cis(CO)transCl conformation is obtained. The results obtained are compared with those obtained for other similar compounds. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2005.03.050