di-μ-azido-bis[(N,N-dimethylbenzylamine-C(2),N)palladium(II)] | 154240-15-0

• 英文名称: di-μ-azido-bis[(N,N-dimethylbenzylamine-C(2),N)palladium(II)]
• 英文别名: [Pd(μ-N3)(N,N'-dimethylbenzylamine(-H))]2；[Pd(μ-N3)(N,N'-dimethylbenzylamine)]2；[Pd(N,N'-dimethylbenzylamine)(μ-N3)]2；[Pd(dmba)(μ-N3)]2；[Pd(N,N-dimethylbenzylamine)(μ-N₃)]₂；[Pd(dmba)(μ-N₃)]₂
• CAS: 154240-15-0；1111897-65-4
• 化学式: C₁₈H₂₄N₈Pd₂
• 分子量: 565.282
• InChiKey: CJBZILREQDYHLT-UHFFFAOYSA-N

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：

  di-μ-azido-bis[(N,N-dimethylbenzylamine-C(2),N)palladium(II)] 以 二氯甲烷 为溶剂， 生成 Pd(N3)(N,N'-dimethylbenzylamine)PMe3(C=N-C6H3-2,6-i-Pr2)
  参考文献：
  名称：

  Cyclopalladated azido complexes containing C,N-donor (HC∼N = 2-(2′-thienyl)pyridine, azobenzene, 3,3′-dimethyl azobenzene, N,N′-dimethylbenzylamine, 2-phenylpyridine) ligands: reactivity towards organic unsaturated compounds and catalytic properties

  摘要：

  具有不同C,N供体配体的环钯化叠氮化物二聚体，[Pd(μ-N3)(C,N-Ln)]2（L1H = 2-(2′-噻吩基)吡啶；L2H = 偶氮苯；L3H = 3,3′-二甲基偶氮苯；L4H = N,N′-二甲基苄胺；L5H = 2-苯基吡啶），与叔烷基（或螯合）磷配体发生断裂反应，形成环钯化的[Pd(N3)(PR3)(C,N-L)]、σ-键合的[Pd(N3)(PR3)2(C-L)]，或双核环钯化的[PdN3(PR3)(C,N-L)]2(μ-P≡P)复合物。特别地，将[Pd(μ-N3)(C,N-L)]2与含碱的螯合磷配体（depe或dmpe）反应，生成同配位的双（螯合）复合物[Pd(C,N-Ln)2]（n = 1–3）。复合物[Pd(N3)(PR3)(C,N-L4)]或[Pd(N3)(PR3)2(C-L4)]与芳基异氰酸酯反应选择性地产生亚胺基复合物[Pd(N3)(–CN–Ar)(PR3)(N-L4)]或亚胺基碳二亚胺复合物[Pd(NCN–Ar)(–CN–Ar)(PR3)(N-L4)]，后者是通过CN–Ar插入到与苯基部分的正位金属化的Pd–C键或与支持配体的Pd–N3键的相互作用形成的。此外，[Pd(N3)(PR3)2(C-Ln)]（n = 1, 2, 4）与R–NCS（R = i-Pr, C6H4–NCS, (CH3)3Si）的反应生成了S配位的四氮杂环–硫代钯(II)复合物。最后，评估了环钯化叠氮化物复合物的催化活性。

  DOI：

  10.1039/b907324h
• 作为产物：
  描述：

  bis[(benzyldimethylamino)chloropalladium(II)] 、 sodium azide 以 水 、 二甲基亚砜 为溶剂， 生成 di-μ-azido-bis[(N,N-dimethylbenzylamine-C(2),N)palladium(II)]
  参考文献：
  名称：

  Cyclopalladated azido complexes containing C,N-donor (HC∼N = 2-(2′-thienyl)pyridine, azobenzene, 3,3′-dimethyl azobenzene, N,N′-dimethylbenzylamine, 2-phenylpyridine) ligands: reactivity towards organic unsaturated compounds and catalytic properties

  摘要：

  具有不同C,N供体配体的环钯化叠氮化物二聚体，[Pd(μ-N3)(C,N-Ln)]2（L1H = 2-(2′-噻吩基)吡啶；L2H = 偶氮苯；L3H = 3,3′-二甲基偶氮苯；L4H = N,N′-二甲基苄胺；L5H = 2-苯基吡啶），与叔烷基（或螯合）磷配体发生断裂反应，形成环钯化的[Pd(N3)(PR3)(C,N-L)]、σ-键合的[Pd(N3)(PR3)2(C-L)]，或双核环钯化的[PdN3(PR3)(C,N-L)]2(μ-P≡P)复合物。特别地，将[Pd(μ-N3)(C,N-L)]2与含碱的螯合磷配体（depe或dmpe）反应，生成同配位的双（螯合）复合物[Pd(C,N-Ln)2]（n = 1–3）。复合物[Pd(N3)(PR3)(C,N-L4)]或[Pd(N3)(PR3)2(C-L4)]与芳基异氰酸酯反应选择性地产生亚胺基复合物[Pd(N3)(–CN–Ar)(PR3)(N-L4)]或亚胺基碳二亚胺复合物[Pd(NCN–Ar)(–CN–Ar)(PR3)(N-L4)]，后者是通过CN–Ar插入到与苯基部分的正位金属化的Pd–C键或与支持配体的Pd–N3键的相互作用形成的。此外，[Pd(N3)(PR3)2(C-Ln)]（n = 1, 2, 4）与R–NCS（R = i-Pr, C6H4–NCS, (CH3)3Si）的反应生成了S配位的四氮杂环–硫代钯(II)复合物。最后，评估了环钯化叠氮化物复合物的催化活性。

  DOI：

  10.1039/b907324h

文献信息

• <i>C</i> , <i>N</i> ‐Palladacycles Containing N‐Heterocyclic Carbene and Azido Ligands – Effective Catalysts for Suzuki–Miyaura Cross‐Coupling Reactions
  作者：Yong‐Joo Kim、Jung‐Hyun Lee、Taejung Kim、Jungyeob Ham、Zhen Nu Zheng、Soon W. Lee

  DOI：10.1002/ejic.201200988

  日期：2012.12

  crystallography. The palladacycles showed high catalytic efficiency toward activated and nonactivated aryl bromides (at room temperature) as well as aryl chlorides (at 80 °C) in Suzuki–Miyaura cross-coupling reactions. In addition, coupling reactions of aryl chlorides using potassium aryl trifluoroborates instead of phenyl boronic acid gave good-to-excellent product yields.

  包含 C,N-供体和 N-杂环卡宾配体的叠氮-钯环 [(C,NL)Pd(N3)(NHC)] [NHC = IPr; 1,3-双(2,6-二异丙基苯基)咪唑-2-亚基]，由 (i) IPr 和双核 PdII 叠氮化物 [Pd(μ-N3)(C,N-Ln)]2 [C, N-L1H = N,N'-二甲基苄胺；C,N-L2H = 2-(2'-噻吩基)吡啶；C,N-L3H = 偶氮苯；C,N-L4H = 2-(对甲苯基)吡啶]，或来自 (ii) NaN3 和单核 PdII 氯化物，[Pd(Cl)(IPr)(C,N-Ln)]，在水溶液中。其中两种产物的结构是通过 X 射线晶体学确定的。在 Suzuki-Miyaura 交叉偶联反应中，钯环对活化和未活化的芳基溴化物（室温）以及芳基氯化物（80°C）显示出高催化效率。此外，
• Thermal and spectroscopic investigation on N,N-dimethylbenzylamine based cyclopalladated compounds containing isonicotinamide
  作者：Alessandra Stevanato、Antonio E. Mauro、Adelino V. G. Netto

  DOI：10.1007/s10973-009-0251-9

  日期：2009.7

  Synthesis, spectroscopic characterization and thermal analysis of the [Pd(dmba)(Cl)(iso)] (1), [Pd(dmba)(NCO)(iso)] (2), [Pd(dmba)(N3)(iso)] (3) and [Pd(dmba)(Br)(iso)] (4) (dmba = N,N′-dimethylbenzylamine; iso = isonicotinamide) compounds are described in this work. The complexes were investigated by infrared spectroscopy (IR), differential thermal analysis (DTA) and thermogravimetry (TG) and the residues of the thermal decomposition were identified as Pdo by X-ray powder diffraction. The thermal stability order of the complexes varied as [Pd(dmba)(Cl)(iso)] (1) > [Pd(dmba)(Br)(iso)] (4) > [Pd(dmba)(NCO)(iso)] (2) > [Pd(dmba)(N3)(iso)] (3).

  本研究描述了[Pd(dmba)(Cl)(iso)]（1）、[Pd(dmba)(NCO)(iso)]（2）、[Pd(dmba)(N3)(iso)]（3）和[Pd(dmba)(Br)(iso)]（4）（dmba ；= N,N′-二甲基苄胺；iso = 异烟酰胺）化合物。通过红外光谱（IR）、差热分析（DTA）和热重分析（TG）对复合物进行了研究，并通过 X 射线粉末衍射鉴定了热分解残留物为 Pdo。配合物的热稳定性顺序为 [Pd(dmba)(Cl)(iso)] (1) > [Pd(dmba)(Br)(iso)] (4) > [Pd(dmba)(NCO)(iso)] (2) > [Pd(dmba)(N3)(iso)] (3)。
• Self-assembly of organometallic Pd(II) complexes via CH3⋯π interactions: The first example of a cyclopalladated compound with herringbone stacking pattern
  作者：E.T. de Almeida、A.E. Mauro、A.M. Santana、S.R. Ananias、A.V.G. Netto、J.G. Ferreira、R.H.A. Santos

  DOI：10.1016/j.inoche.2007.08.020

  日期：2007.12

  Abstract Two binuclear cyclometallated compounds [Pd(C2,N-dmba)(μ-N3)]2 (1) and [Pd2(C2,N-dmba)2(μ-N3)(μ-Cl)] (2) (dmba = N,N-dimethylbenzylamine) have been synthesized and characterized by elemental analysis, IR and NMR spectroscopies and single crystal X-ray diffraction crystallography. The ability of CH3 groups to form C(sp3) H⋯π hydrogen bonds with phenyl rings is responsible for the molecular

  摘要 两种双核环金属化合物 [Pd(C2,N-dmba)(μ-N3)]2 (1) 和 [Pd2(C2,N-dmba)2(μ-N3)(μ-Cl)] (2) ( dmba = N,N-二甲基苄胺) 已合成并通过元素分析、IR 和 NMR 光谱以及单晶 X 射线衍射晶体学表征。CH3 基团与苯环形成 C(sp3) H⋯π 氢键的能力是 1 和 2 晶体内分子自组装的原因。化合物 1 结晶为一维超分子链，而 2 的晶体堆积由两个反向相关的 [Pd2(C2,N-dmba)2(μ-N3)(μ-Cl)] 分子组成的人字形三明治组成。
• Asymmetric and symmetric triazenido cyclopalladated complexes: Synthesis, structural analysis and DFT calculations
  作者：Ana Paula Härter Vaniel、Antonio Eduardo Mauro、Adelino Vieira de Godoy Netto、Eduardo Tonon de Almeida、Paulo Cesar Piquini、Priscilla Zambiazi、Davi Fernando Back、Manfredo Hörner

  DOI：10.1016/j.molstruc.2014.11.069

  日期：2015.3

  The reaction of [Pddmba}(mu-N-3)](2) (dmba = N,N-dimethylbenzylamine) with 1-(2-fluorophenyl)-3-(4-nitrophenyl)triazenido (L-1) or 1,3-bis(4-nitrophenyl)triazenido (L-2) anions, in methanol, and subsequent treatment with pyridine (py) allows the preparation of the corresponding cyclopalladated compounds [Pd(dmba)(L-1)(py)] (1) and [Pd(dmba)(L-2)(py)].py (2). The acentric mononuclear entities of (1) and (2) are connected by weak intermolecular non-classical C-H ... C hydrogen bonds, which results in 2-D arrangements by translation, along the [1 0 0] and [0 0 1] crystallographic directions, respectively. (C) 2014 Elsevier B.V. All rights reserved.