[Pd(C(=NBu-t)C6H4NH2-2)(CNBu-t)(2,2-bipyridine)](CF3SO3) | 399567-15-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: [Pd(C(=NBu-t)C6H4NH2-2)(CNBu-t)(2,2-bipyridine)](CF3SO3)
• 英文别名: 2-(tert-butyliminomethyl)aniline;2-isocyano-2-methylpropane;palladium(2+);2-pyridin-2-ylpyridine;trifluoromethanesulfonate
• CAS: 399567-15-8
• 化学式: CF₃O₃S*C₂₆H₃₂N₅Pd
• 分子量: 670.064
• InChiKey: PJKKSTXQGVKFNG-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  2-碘苯胺 以 丙酮 、 甲苯 为溶剂， 生成 [Pd(C(=NBu-t)C6H4NH2-2)(CNBu-t)(2,2-bipyridine)](CF3SO3)
  参考文献：
  名称：

  Synthesis and Reactivity toward Isonitriles of (2-Aminoaryl)palladium(II) Complexes

  摘要：

  Mixtures of "Pd(dba)(2)" (dba = dibenzylideneacetone) and 2,2'-bipyridine (bpy; 1:2) or N,N,N',N'-tetramethylethylenediamine (tmeda; 1:1) react with 2-bromo-4-nitroaniline to give [Pd{C6H3NH2-2-NO2-5}Br(N-N)] (N-N = bpy (1b), tmeda (1b')). Reactions of 2-iodoaniline with mixtures of "Pd(dba)(2)" and isonitriles RNC (R = C6H3Me2-2,6 (Xy), 2:1:2 molar ratios; R = Bu-t, 2.9:1:2 molar ratios) result in the formation of the complexes [Pd{kappa(2)C,N-C(=NXy)C6H4NH2-2}I(CNXy)] (2a) and trans- [Pd{C(=(NBu)-Bu-t)C6H4NH2-2}I((CNBu)-Bu-t)(2)] (3a*). The reactions of [Pd{C6H4NH2-2}I(bpy)] and 1b' with RNC give the complexes trans-[Pd{C(=NR)C6H3NH2-2-Y-5}}X(CNR)(2)] (Y = H, X = I, R = Xy (3a), Bu-t (3a*); Y = NO2, X = Br, R = Xy (3b), Bu-t (3b*)). Complexes 3 react with Tl(TfO) (TfO = CF3SO3) to give decomposition products, with the exception of 3a, which gives the cyclopalladated complex cis-[Pd{kappa(2)C,N-C(=NXy)C6H4NH2-2}(CNXy)(2)]Tfn (4a), Complex 2a or 3 reacts with Tl(TfO) in the presence of the corresponding ligand, L or L-2, to give the cationic complex [Pd{C(=NR)C6H3NH2-2-Y-5}(CNR)L-2]TfO (L = (BuNC)-Bu-t, Y = H (5a*), NO2 (5b*); L-2 = bpy, Y = H, R = Xy (6a), Bu-t (6a*)). When L = PPh3, the resulting complexes trans- [Pd{C(=NR)C6H3NH2-2-Y-5}(CN-Bu-t)(2)(PPh3)]TfO (Y = H (7a*), NO2 (7b*)) decompose easily to the Pd(I) complex [Pd-2(CN-Bu-t)(4)(PPh3)(2)](TfO)(2) (8). The reaction of 2a with Tl(TfO) affords [{Pd[kappa-(C),N-C(=NXy)C6H4NH2](CNXy)}(2)(mu-I)]TfO (9a), and that with a mixture of bpy and Tl(TfO) in acetone with subsequent bubbling of CO through the solution gives [Pd(R)(CNXy)(bpy)](TfO)(2) (10), where R is 2-(xylylamino)-3-xylylquinazolinium-4-yl. The crystal structures of 2a, 3a, 4a, 6a, 8, 9a.CH2Cl2, and 10.1.5CH(2)Cl(2) have been determined by X-ray diffraction studies. Some hydrogen bond interactions (C-sp(3)-H...Pd, N-H...pi-arene, N-H...I-Pd; eight-membered rings ...O-S-O...H-N-C-C-H... and ...I-Pd-N-H...I-Pd-N-H...) lead to interesting supramolecular structures.

  DOI：

  10.1021/om0104971