[Pd(I)2Br2(2,6-Me2C6H3NC)4] | 185812-87-7

• 英文名称: [Pd(I)2Br2(2,6-Me2C6H3NC)4]
• CAS: 185812-87-7
• 化学式: C₃₆H₃₆Br₂N₄Pd₂
• 分子量: 897.357
• InChiKey: GXSPTOLCSOHNDV-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：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  2,6-二甲基苯基异腈 以 氘代氯仿 、 二氯甲烷 为溶剂， 生成 [Pd(C(NC6H3(CH3)2-2,6)C6H4CH2NH2-2)Br(2,6-Me2C6H3NC)2] 、 [Pd(I)2Br2(2,6-Me2C6H3NC)4]
  参考文献：
  名称：

  钯辅助的碳-碳键形成。部10 1异腈的插入反应成Orthopalladated伯胺的的Pd-C键。2-R-氨基异吲哚鎓盐的合成（R = t Bu，2,6-二甲苯基）

  摘要：

  pal化的伯胺[Pd {C 6 H 3 CH 2 NH 2 -2-X-5}（μ-Br）] 2 [X = H（1a），OMe（1b），NO 2（1c），F（1d）]与异氰化物（Pd：RNC = 1：1）反应，得到[Pd {C 6 H 3 CH 2 NH 2 -2-X-5} Br（RNC）] [R = Xy = C 6 H 3 Me 2 -2,6，X = H（2a），OMe（2b），NO 2（2c），F（2d），R = tBu，X ＝ H（3a），OMe（3b），NO 2（3c），F（3d）]。当XyNC与1a（Pd：RNC = 1：2）或与2a（Pd：RNC = 1：1）反应时，络合物[Pd {（C NXy）C 6 H 4 CH 2 NH 2 -2}（XyNC）得到Br]（4a）。配合物1与异氰酸酯的比例为Pd：RNC = 1：3的反应生成Pd（I）配合物[Pd 2 Br 2 L 4 ] [L

  DOI：

  10.1021/om020365n

文献信息

• Reactivity studies of [Pd2(μ-X)2(PBut3)2] (X = Br, I) with CNR (R = 2,6-dimethylphenyl), H2 and alkynes
  作者：Víctor Durà-Vilà、D.Michael P. Mingos、Ramón Vilar、Andrew J.P. White、David J. Williams

  DOI：10.1016/s0022-328x(00)00187-x

  日期：2000.4

  syntheses for the dimeric compounds [Pd2(μ-X)2(PBut3)2] (X = Br, I) have been developed and the X-ray crystal structure for the dimer with X = 1 is reported. The reactions of these dimers with CNR (R = 2,6-dimethylphenyl), H2 and a series of terminal and substituted alkynes are also reported. The dimer with X = Br is an initiator for the catalytic polymerisation of phenylacetylene. The product of the dimers

  已经开发出改进的二聚体化合物[Pd 2（μ-X）2（PBu t 3）2 ]（X = Br，I）的合成，并报道了X = 1的二聚体的X射线晶体结构。还报道了这些二聚体与CNR（R = 2,6-二甲基苯基），H 2以及一系列末端和取代的炔烃的反应。X = Br的二聚体是苯乙炔催化聚合的引发剂。二聚体与二取代的炔烃导致三聚体物质的合成与式[PD中的产物3（μ-X）ν 2 -C 4（CO 2 R）4 } 2 ] [PBU吨3）Me] 2（X = Br，I; R = Me，Et）。给出了其中一种化合物的X射线晶体结构（当R = Et和X = I时），表明钯二聚体有助于炔烃的CC偶联。
• Study of the Reactivity of 2-Acetyl-, 2-Cyano-, 2-Formyl-, and 2-Vinylphenyl Palladium(II) Complexes. Mono- and Triinsertion of an Isocyanide into the Pd−C Bond. A 2-Cyanophenyl Palladium Complex as a Ligand
  作者：José Vicente、José-Antonio Abad、Eloísa Martínez-Viviente、Peter G. Jones

  DOI：10.1021/om020380s

  日期：2002.10.1

  We have studied the reactivity of the complexes [Pd(C6H4X-2)Br(bpy)] (bpy = 2,2'-bipyridine; X = C(O)Me (1a), CN (1b), CHO (1c)), [PdC6H4CH=CH2-2}(PPh3)(bpy)](TfO) (TfO = CF3SO3; 2d), trans-[Pd(C6H4X-2)Br(PPh3)(2)] (X = C(O)Me (3a), CN (3b), CH=CH2 (3d)), and [Pd(mu-Br)(C6H4X-2)(PPh3)]2(X = C(O)Me (4a), CN (4b)). Their reactions with XyNC (Xy = 2,6-dimethylphenyl) depend on the nature of X and the other ligands and on the reaction conditions. The products of these reactions are mono- and triinserted complexes. Among the former are [PdC(=NXy)C6H4X-2}Br(L-2)] (L-2 = bpy, X = C(O)Me (5a), CN (5b); L = CNXy, X = C(O)Me (6a), CN (6b), CH=CH2 (6d)) and trans- [PdC(=Nxy)C6H4CH= CH2-2}(CNxy)(2)(PPh3)](TfO) (7d). The reaction of 1c with XyNC (1:5 molar ratio) gives 10, a product resulting after substitution of bpy, coordination of two molecules of XyNC, triinsertion of XyNC, and a cyclization resulting after the attack of the nitrogen of the first inserted molecule at the carbon atom of the formyl group. The complexes [Pdkappa(2)C(1),N-3-C(= NXy)C(=NXy)C(=NXy)C6H4X-2}Br(CNXy)] (X = C(O)Me (8a), CN (8b)) were obtained by reacting (i) 3a or 3b with XyNC (1:4 molar ratio) or (ii) Pd(dba)(2) (dba = dibenzylideneacetone) with BrC6H4X-2 and XyNC (1:1:4 molar ratio). When this oxidative addition reaction was carried out with BrC6H4CHO-2, the resulting product decomposed to give the Pd(l) complex [Pd2Br2(CNXy)(4)] (9). Tl(TfO) was reacted with (1) 8a and 8b (11 molar ratio) to give the corresponding triflato complexes 11a and 11b, (ii) 4a (1:2 molar ratio) in the presence of moisture to give the cyclopalladated aquo complex [Pdkappa(2)C,O-C6H4C(O)Me-2}(OH2)(PPh3)]-(TfO) (12a), and (iii) 4b (3:1 molar ratio) to give [Pd(C6H4CN-2)(kappa(2)NN-4b)(PPh3)](TfO) (13b), in which 4b behaves as a ligand through the two cyano groups. The crystal structures of 5b, 6b, 7d, 8a,b, 9, 10, 11a,b, 12a, and 13b have been determined by X-ray diffraction studies.