[Pd(C,N,O-C(=N(C6H3Me2-2,6))C6H4(NC(Me)CHC(Me)O)-2)(PPh3)] | 1035630-25-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [Pd(C,N,O-C(=N(C6H3Me2-2,6))C6H4(NC(Me)CHC(Me)O)-2)(PPh3)]
• 英文别名: [Pd(C,N,O-C(=NXy)C6H4(NC(Me)CHC(Me)O)-2)(PPh3)]
• CAS: 1035630-25-1
• 化学式: C₃₈H₃₅N₂OPPd
• 分子量: 673.102
• InChiKey: WIFGRXQCNDWPMN-LLDDCTHSSA-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：

  [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
• 作为产物：
  描述：

  [Pd(μ-N,C,N',O-N(C6H3Me2-2,6)(=CC6H4(NC(Me)CHC(Me)O)-2))]2 、 三苯基膦 以 氯仿 为溶剂， 以58%的产率得到[Pd(C,N,O-C(=N(C6H3Me2-2,6))C6H4(NC(Me)CHC(Me)O)-2)(PPh3)]
  参考文献：
  名称：

  新钯化合物含Terdentate [ C，N，O ] ñ - （Ñ = 0，1，2），或四齿[ N，C，O，N' ] ñ - （Ñ = 1，2）配体。首批1,2-二氢喹唑啉-4-基络合物

  摘要：

  IC 6 H 4 {NHC（Me）CHC（O）Me} -2（IAr）与[Pd 2（dba）3 ]·dba（“ Pd（dba）2 ”，dba =二苄叉基丙酮）的反应得到双齿配体N ^ N（1：1：1），顺式-[PdI（Ar）（N ^ N）]的存在（N ^ N = 4,4'-叔丁基-2,2'-联吡啶= t Bubpy（1），N，N，N'，N'-四甲基乙二胺＝ tmeda（2））。这些络合物与PPh 3（1：2）反应生成反式-[PdI（Ar）（PPh 3）2 ]（3）或与TlTfO（TfO = CF 3 SO 3）给出[Pd { C，C -C 6 H 4 {NH═C（Me）CHC（O）Me} -2}（N ^ N）] TfO（N ^ N = t Bubpy（4），tmeda（5）），然后与中性单齿配体（L，1：1）反应生成络合物[Pd（Ar）（N ^ N）（L）]（N ^ N = t Bubpy，L

  DOI：

  10.1021/om800205g