trans-(Pd(C6H4(CN)-2)Br(PPh3)2) | 261353-95-1

• 英文名称: trans-(Pd(C6H4(CN)-2)Br(PPh3)2)
• 英文别名: trans-[PdBr(PPh3)2(2-cyanophenyl)]
• CAS: 261353-95-1
• 化学式: C₄₃H₃₄BrNP₂Pd
• 分子量: 813.021
• InChiKey: OJJWHLOYGHZYOZ-UHFFFAOYSA-M

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：

  trans-(Pd(C6H4(CN)-2)Br(PPh3)2) 在 (PdCl₂(NCPh)2) 、 NaBr 作用下， 以 二氯甲烷 为溶剂， 以87%的产率得到[Pd(μ-Br(PPh3)(2-cyanophenyl)]2
  参考文献：
  名称：

  邻官能化芳基配体的钯配合物的合成

  摘要：

  络合物[Pd（C 6 H 4 X-2）BrL 2 ]（L 2 =反式-（PR 3）2，R = Ph，X = CH CH 2（1a），CHO（1b），C（O） Me（1c），CN（1d）; R = p -To = 4-甲苯基，X = CH CH 2（1a '）; L 2 = bpy = 2,2'-联吡啶，X = CHO（2b），C （O）Me（2c），CN（2d）; L 2 = tmeda = N，N，N '，N'-四甲基乙二胺，X = CHO（2b '），CN（2d '））是通过将相应的溴芳烃BrC 6 H 4 X-2氧化添加到“ Pd（dba）2 ”（= [Pd 2（dba） ）3 ]·dba，dba ＝二亚苄基丙酮）在适当的配体存在下。化合物[Pd {C 6 H 4（CH CH 2）-2}（bpy）（PPh 3）] TfO（3a； TfO = CF 3 SO 3）已通过在TlOTf存在下使1a与bpy反应获得。的环钯[钯{

  DOI：

  10.1021/om9905963
• 作为产物：
  描述：

  三苯基膦 、 2-溴苯腈 、 tris-(dibenzylideneacetone)dipalladium(0) 以 甲苯 为溶剂， 以76%的产率得到trans-(Pd(C6H4(CN)-2)Br(PPh3)2)
  参考文献：
  名称：

  邻官能化芳基配体的钯配合物的合成

  摘要：

  络合物[Pd（C 6 H 4 X-2）BrL 2 ]（L 2 =反式-（PR 3）2，R = Ph，X = CH CH 2（1a），CHO（1b），C（O） Me（1c），CN（1d）; R = p -To = 4-甲苯基，X = CH CH 2（1a '）; L 2 = bpy = 2,2'-联吡啶，X = CHO（2b），C （O）Me（2c），CN（2d）; L 2 = tmeda = N，N，N '，N'-四甲基乙二胺，X = CHO（2b '），CN（2d '））是通过将相应的溴芳烃BrC 6 H 4 X-2氧化添加到“ Pd（dba）2 ”（= [Pd 2（dba） ）3 ]·dba，dba ＝二亚苄基丙酮）在适当的配体存在下。化合物[Pd {C 6 H 4（CH CH 2）-2}（bpy）（PPh 3）] TfO（3a； TfO = CF 3 SO 3）已通过在TlOTf存在下使1a与bpy反应获得。的环钯[钯{

  DOI：

  10.1021/om9905963

文献信息

• 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.