2,6-bis(3,5-dimethyl-N-pyrazolyl)pyridine ruthenium(III) trichloride | 150414-07-6

• 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: 2,6-bis(3,5-dimethyl-N-pyrazolyl)pyridine ruthenium(III) trichloride
• 英文别名: [RuCl3(2,6-bis(3,5-dimethylpyrazol-1-yl)pyridine)]；TuCl3(2,6-bis(3,5-dimethylpyrazol-1-yl)pyridine)；[RuCl3(2,6-bis(3,5-dimethyl-N-pyrazoyl)pyridine)]；2,6-bis(3,5-dimethylpyrazol-1-yl)pyridine;trichlororuthenium
• CAS: 150414-07-6
• 化学式: C₁₅H₁₇Cl₃N₅Ru
• 分子量: 474.762
• InChiKey: HTRSQGUJXKCZDW-UHFFFAOYSA-K

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：

  2,6-bis(3,5-dimethyl-N-pyrazolyl)pyridine ruthenium(III) trichloride 、 三氟乙酰丙酮 在 三乙胺 作用下， 以 乙醇 为溶剂， 以44%的产率得到
  参考文献：
  名称：

  含β-二酮酸酯配体和2,6-双（N-吡唑基）吡啶及其甲基取代衍生物的钌配合物的氧化还原调节

  摘要：

  制备了一个新的通式为[Ru（Me n bpp）（R 2 mal）L]的配合物，其中Me n bpp为2,6-双（N-吡唑基）吡啶或甲基取代的衍生物（n  ＝ 0、2或4），R 2 mal是1，3-取代的β-二酮酸酯，L是氯或N-杂环配体。相对于类似的聚吡啶基配合物，二齿β-二酮酸酯配体大大降低了Ru（III / II）电位。本文介绍的合成方案可用于制备Ru（III / II通过改变2，6-双（N-吡唑基）吡啶配体上的甲基数量和/或β-二酮酸酯配体上的取代基，可以在600 mV的范围内系统地合理地调节对偶。在第六个配位位点处的取代使得这些配合物（包括桥联配体）具有更多的合成多功能性，使得这些配合物可以用作双金属配合物的前体。

  DOI：

  10.1039/a805088k
• 作为产物：
  描述：

  2,6-二(3,5-二甲基吡唑-1-基)吡啶 、 ruthenium trichloride hydrate 以 乙醇 为溶剂， 反应 3.0h， 生成 2,6-bis(3,5-dimethyl-N-pyrazolyl)pyridine ruthenium(III) trichloride
  参考文献：
  名称：

  （吡唑基）吡啶钌（III）配合物：硫脲取代反应的合成、动力学和生物学研究

  摘要：

  摘要 2-溴-6-(3,5-二甲基-1H-吡唑-1-基)吡啶(L1)、2,6-二(1H-吡唑-1-基)吡啶(L2)和2的反应， 6-双(3,5-二甲基-1H-吡唑-1-基)吡啶(L3)与RuCl3·3H2O形成各自的金属配合物[RuCl3(L1)](1),[RuCl3(L2) ] (2) 和 [RuCl3(L3)] (3)。配合物 3 的固态结构建立了六配位单核化合物的形成，其中 L3 三齿结合。所研究的配合物与硫脲 (TU) 亲核试剂的反应性顺序为 1 > 2 > 3，与密度泛函理论 (DFT) 研究一致。这些复合物对 HeLa 细胞系的细胞毒活性很小，这与分子对接实验一致，后者显示出较弱的 DNA 结合亲和力。

  DOI：

  10.1016/j.inoche.2018.06.006

文献信息

• Synthesis and characterization of ruthenium complexes which utilize a new family of terdentate ligands based upon 2,6-bis(pyrazol-1-yl)pyridine
  作者：Carol A. Bessel、Ronald F. See、Donald L. Jameson、Melvyn Rowen Churchill、Kenneth J. Takeuchi

  DOI：10.1039/dt9930001563

  日期：——

  synthetic utility of a new family of terdentate ligands based on 2,6-bis(pyrazol-1-yl)pyridine (bpp), reaction conditions were developed to generate a variety of [RuL(NO2)(PMe3)2]+ complexes [L = bpp, 2,6-bis(3,5-dimethylpyrazol-1-yl)pyridine(bdmpp), 2,6-bis(3-phenylpyrazol-1-yl)pyridine (bppp) or 2,6-bis(3-p-chlorophenylpyrazol-1-yl)pyridine (bcppp)]. These complexes were characterized by elemental analysis

  为了证明基于2,6-双（吡唑-1-基）吡啶（bpp）的新的齿状配体家族的合成效用，开发了反应条件以生成各种[RuL（NO 2）（PMe 3）2 ] +配合物[L = bpp，2,6-双（3,5-二甲基吡唑-1-基）吡啶（bdmpp），2,6-双（3-苯基吡唑-1-基）吡啶（bppp）或2 ，6-双（3-对氯苯基吡唑-1-基）吡啶（bcppp）]。这些配合物通过元素分析，1 H和13进行表征C NMR，红外和UV / VIS光谱，循环伏安法和单晶X射线衍射研究。齿状bpp配体的取代基在空间上影响Ru–N（吡唑）键的长度，硝基配体的氮原子从RuL平面的位移以及硝基配体的N–O向量从该平面的扭曲。取代基也影响Ru III -Ru II对的电势和峰电流比。对数（i pc / i pa）值（i pc =阴极峰值电流，i pa（阳极峰值电流）与通过Tolman锥角估计的取代基的空间尺寸以及硝基配体离开
• 2,6-Bis(3,5-dimethylpyrazol-1-yl)pyridine:  A Useful Pseudo-N₃ Ligand in Efficient Ruthenium(II)-Catalyzed Transfer Hydrogenation of Ketones
  作者：Deng、Yu、Dong、Wu

  DOI：10.1021/om050467o

  日期：2005.8.1

  Transfer hydrogenation of ketones was efficiently carried out with a ruthenium(II) complex bearing the ligand 2,6-bis(3,5-dimethylpyrazol-1-yl)pyridine (Me4BPPy), i.e., RuCl2(PPh3)(Me4BPPy), in 2-propanol at 82 °C. The single-crystal structure of the complex was first characterized by an X-ray crystallographic study, correcting the mistaken structural assignment of the complex in the literature. The

  使用带有配体2,6-双（3,5-二甲基吡唑-1-基）吡啶（Me 4 BPPy），即RuCl 2（PPh 3）（ Me 4 BPPy），在2-丙醇中于82°C加热。配合物的单晶结构首先通过X射线晶体学研究来表征，纠正了文献中配合物的错误结构分配。结果表明，Me 4 BPPy型新的配体家族可以作为伪N 3配体来构建过渡金属催化剂。
• Ruthenium complexes supported by 2,6-bis(pyrazol-1-yl)pyridines
  作者：Nicholas J Beach、Gregory J Spivak

  DOI：10.1016/s0020-1693(02)01173-8

  日期：2003.1

  The synthesis and characterization of a series of ruthenium(II) complexes containing the planar tridentate ligands 2,6-bis(pyrazol-1-yl)pyridine (BPP) or 2,6-bis(3,5-dimethylpyrazol-1-yl)pyridine (Me4BPP) are described. The reaction of BPP with RuCl2(PPh3)(3) yields both the cis (1a) and trans (1b) isomers of [RuCl(PPh3)(2)(BPP)]Cl. Complexes of the general formula transRuCl(2)(L)(Me4BPP) (L=PPh3, 2; C2H4, 3a; CO, 3b; MeCN, 3c) are also reported, and were prepared from either RuCl2(PPh3)(3) and Me4BPP (i.e. 2), Et3N reductions of RuCl3(Me4BPP) in the presence of L (i.e. 2 and 3b,c), or from [RuCl2(p-cymene)](2), Me4BPP and L (i.e. 3a). The neutral vinylidene complex cis-RuCl=(=C=CHPh)(Me4BPP) (4), was isolated from reactions of phenylacetylene with either 3a or mixtures of [RuCl2(p-cymene)](2) and Me4BPP, while the cationic allenylidene complex [RuCl(PPh3)(=C=C=CPh2)(Me4BPP)][BF4] (5), was prepared from 2, AgBF4 and 1,1-diphenyl-2-propyn-1-ol. Complexes 1-5 were characterized by multinuclear NMR and IR spectroscopy. (C) 2002 Elsevier Science B.V. All rights reserved.
• Synthesis and spectroscopic properties of a new bipyridine-bipyrazoyl(pyridine)-thiocyanato-ruthenium(II) complex
  作者：Katerina Chryssou、Thomas Stergiopoulos、Polycarpos Falaras

  DOI：10.1016/s0277-5387(02)01282-2

  日期：2002.12

  The complex [Ru(II)(dcbpyH(2))(bdmpp)NCS](PF6) (1) where dcbpyH(2) is 2,2'-bipyridine-4,4'-dicarboxylic acid, bdmpp is 2,6-bis(3,5-dimethyl-N-pyrazoyl)pyridine,) is synthesized and. characterized extensively by H-1 NMR and C-13 NMR 1D and 2D, mass spectroscopy, cyclic voltammetry, electronic absorption spectroscopy and IR. The half-wave potential of the Ru(II)/Ru(III) redox couple was measured at E-1/2 = +0.795 V versus Ag/AgCl in CH3CN. The complex presents three intense metal-to-ligand charge transfer (MLCT) (d(M) --> pi*(L) absorption bands centered at 383 (epsilon = 21300 M-1 cm(-1)), 432 (epsilon = 22 400 M-1 cm(-1)) and 475 nm (epsilon = 23 400 M-1 cm(-1)), respectively. The absorbance is extremely strong between 400 and 500 nm and even at 620 nm, the extinction coefficient is still high (epsilon = 3768 M-1 cm(-1)). The strong pi-acceptor property of the trans-isothiocyanate ligand compared with the Cl- ligand is probably the cause of the blue-shift observed in complex 1. These properties make the complex potentially promising for the photosensitization process. The incorporation of TiO2 photoelectrodes derivatized with this complex into a solar cell using a composite polymer/inorganic oxide solid-state electrolyte confirmed its sensitizing ability. Incident monochromatic photon-to-current conversion efficiency (IPCE) values of about 30% and overall energy conversion efficiency (eta) of 1.7% were obtained. (C) 2002 Elsevier Science Ltd. All rights reserved.
• Synthesis and characterization of bdmpp-dcbpy-Ru (II) complex for dye-sensitized solar cells [where bdmpp is 2,6-bis(3,5-dimethyl-N-pyrazoyl)pyridine and dcbpy is 2,2′-bipyridine-4,4′-dicarboxylic acid]
  作者：K Chryssou、V.J Catalano、R Kurtaran、P Falaras

  DOI：10.1016/s0020-1693(01)00735-6

  日期：2002.1

  A new complex, [Ru(II)(dcbpyH(2))(bdmpp)Cl](PF6) (where bdmpp is 2,6-bis(3,5-dimethyl-N-pyrazoyl)pyridine, dcbpyH(2) is 2,2'-bipyridine-4,4'-dicarboxylic acid) is synthesized and characterized by mass spectroscopy, by IR, ES-MS and H-1 NMR (1D and 2D) spectroscopies. The broad and very high intensity MLCT absorption band in the visible makes this dye potentially beneficial for the photosensitization process. Cyclic voltammetry analysis displays a well reversible oxidation-reduction wave with E-1/2 = +0.81 vs. Ag-AgCl. Transparent TiO2 thin film electrodes can easily be chemically modified by the complex and the incorporation of the resulting photoelectrodes in wet regenerative solar cells produced a stable photovoltage of 550 mV and gave a continuous photocurrent of 140 muA cm(-2). (C) 2002 Elsevier Science B.V. All rights reserved.