[Pd2Cl2(μ-C,N,N'-C(=NXy)C6H4NH2-2)]2 | 1351465-73-0

• 英文名称: [Pd2Cl2(μ-C,N,N'-C(=NXy)C6H4NH2-2)]2
• CAS: 1351465-73-0
• 化学式: C₃₀H₃₀Cl₂N₄Pd₂
• 分子量: 730.341
• InChiKey: FGBWJQMPBMEEBU-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：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  [Pd(C,N,O-C(=N(C6H3Me2-2,6))C6H4(NC(Me)CHC(Me)O)-2)(PPh3)] 在 C(CH₃)3OOH 、 triethyl amine 作用下， 以 乙醚 、 二氯甲烷 、 氯仿 、 水 为溶剂， 生成 [Pd2Cl2(μ-C,N,N'-C(=NXy)C6H4NH2-2)]2
  参考文献：
  名称：

  Synthesis and Reactivity of [PdCl₂{C,N-C₆H₄C(═NHXy)NH₂-2}] and Neutral Palladium 1,2-Dihydroquinazolinium-4-yl Complexes: Depalladation Reactions

  摘要：

  The complex [Pd{C,N,O-C(=NXy)C6H4{NC(Me)CHC(Me)O}-2}PPh3] (A) reacts with aqueous HCl and H2O2 or with aqueous HCl (HCl:Pd = 2, 3) to produce the complexes [PdCl2{C,N-C(=NHXy)C6H4NH2-2}] (1), cis-[PdCl2{C(= NHXy)C6H4NH2-2}}(PPh3)] (2c), and [PdCl2{C(=NHXy)C6H4NH3-2}PPh3]Cl (3), respectively. The reactions of complex 1 with L (neutral C- or P-donor ligands) give [PdCl2{C(=NHXy)C6H4NH2}-2}L] (2). Dehydrochlorination of 2a (L = (CNBu)-Bu-t) occurred upon heating to give [PdCl{C,N-C(=NXy)C6H4NH2-2}L] (4). The complexes [PdCl{C,N-C(=NXy)C6H4NH2-2}PPh3]X (X = ClO4 (5), TfO (5')) were obtained by reacting 2c with AgClO4 or TlTfO (TfO = CF3SO3), respectively. When 1 was reacted with NEt3, a dehydrochlorination/dimerization process occurred, giving [Pd2Cl2{mu-N,C,N'-C(=NXy)C6H4NH2-2}(2)] (6a), which, in turn, reacted in two steps with TITfO and NaOAc to give [Pd-2(OAc)(2){mu-N,C,N'-C(=NXy)C6H4NH2-2}(2)] (6b). The reaction of 1 with 1 equiv of a neutral ligand L and a carbonyl compound (acetone, RCHO, or R'(CHO)(3)) affords the neutral 1,2-dihydroquinazolinium-4-yl complexes cis[PdCl2{C(=NXy)CMe2NHC6H4-2}L] (7), cis-[PdCl2{C(=NXy)CH(R)NHC6H4-2}PPh3) (8), and [{cis-PdCl2{C(=NXy)CHNHC6H4-2}CNXy}(3){mu(3)-C6H3(C6H4-4)(3)-1,3,5}] (9)), respectively. Depalladation of compounds 7 occurred when they were heated with TITfO, to give 2-Me-4-xylyliminium-1,4-dihydroquinoline triflate (10a). The complexes trans-[PdI{C(=NXy)CMe2NHC6H4-2}(CNXy)(2)]TfO and trans-[PdI{C(=NXy)C6H4NH2-2}(CNXy)(2)] react in two steps with AgTfO and PhC CH/NEt3 to give the depalladated species 2,2-dimethyl-3-xylyl-4-phenylethynyl-1,2-dihydroquinazolinium triflate (11) and H2NC6H4{C(=NXy)C CPh}-2 (12), respectively. Complex 11 reacts with (KBuO)-Bu-t or Tl(acac) to give the dinuclear complex [Pd-2{mu-C,N-C(=NXy)C6H4NH-2}{C,N-C(=NXy)C6H4NH2-2}(CNXy)(3)] (13).

  DOI：

  10.1021/om200986k