[(η3-indenyl)Pd(NEt3)Cl] | 890529-04-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: [(η3-indenyl)Pd(NEt3)Cl]
• 英文别名: N,N-diethylethanamine;1H-inden-1-ide;palladium(2+);chloride
• CAS: 890529-04-1
• 化学式: C₁₅H₂₂ClNPd
• 分子量: 358.219
• InChiKey: DDOMFIGFBGFMGW-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.91
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  [(η3-indenyl)Pd(NEt3)Cl] 、 苄胺 以 苯 为溶剂， 以84%的产率得到[(η1-indenyl)Pd(benzylamine)Cl]
  参考文献：
  名称：

  New Palladium(II)−(η^3/5- or η¹-Indenyl) and Dipalladium(I)−(μ,η³-Indenyl) Complexes

  摘要：

  Reaction of the dimeric species [(eta(3)-Ind) Pd(A-Cl)] 2 (1) (Ind) indenyl) with NEt3 gives the complex (eta(3-5)-Ind) Pd(NEt3) Cl (3), whereas the analogous reactions with BnNH2 (Bn) PhCH2) or pyridine (py) afford the complexes trans-L2Pd(eta(1)-Ind) Cl ( L) BnNH2 ( 4), py ( 5)). Similarly, the one-pot reaction of 1 with a mixture of BnNH2 and the phosphine ligands PR3' gives the mixed-ligand, amino and phosphine species (PR3)( BnNH2) Pd(eta(1)-Ind) Cl (R = Cy (6a), Ph (6b)); the latter complexes can also be prepared by addition of BnNH2 to (A(3-5)-Ind) Pd(PR3) Cl (R) Cy (2a), Ph (2b)). Complexes 6 undergo a gradual decomposition in solution to generate the dinuclear Pd-I compounds (mu,eta(3)-Ind)(mu-Cl) Pd-2(PR3)(2) (R = Cy (7a), Ph (7b)) and the Pd-II compounds (BnNH2)(PR3) PdCl2 (R) Cy (8a), Ph (8b)), along with 1,1'-biindene. The formation of 7 is proposed to proceed by a comproportionation reaction between in situ-generated Pd-II and Pd-0 intermediates. Interestingly, the reverse of this reaction, disproportionation, also occurs spontaneously to give 2. All new compounds have been characterized by NMR spectroscopy and, in the case of 3, 4, 5, 6a, 7a, 7b, and 8a, by X-ray crystallography.

  DOI：

  10.1021/ja060747a
• 作为产物：
  描述：

  (μ-Cl)2{Pd(η3-indenyl)}2 、 三乙胺 以 苯 为溶剂， 以72%的产率得到[(η3-indenyl)Pd(NEt3)Cl]
  参考文献：
  名称：

  New Palladium(II)−(η^3/5- or η¹-Indenyl) and Dipalladium(I)−(μ,η³-Indenyl) Complexes

  摘要：

  Reaction of the dimeric species [(eta(3)-Ind) Pd(A-Cl)] 2 (1) (Ind) indenyl) with NEt3 gives the complex (eta(3-5)-Ind) Pd(NEt3) Cl (3), whereas the analogous reactions with BnNH2 (Bn) PhCH2) or pyridine (py) afford the complexes trans-L2Pd(eta(1)-Ind) Cl ( L) BnNH2 ( 4), py ( 5)). Similarly, the one-pot reaction of 1 with a mixture of BnNH2 and the phosphine ligands PR3' gives the mixed-ligand, amino and phosphine species (PR3)( BnNH2) Pd(eta(1)-Ind) Cl (R = Cy (6a), Ph (6b)); the latter complexes can also be prepared by addition of BnNH2 to (A(3-5)-Ind) Pd(PR3) Cl (R) Cy (2a), Ph (2b)). Complexes 6 undergo a gradual decomposition in solution to generate the dinuclear Pd-I compounds (mu,eta(3)-Ind)(mu-Cl) Pd-2(PR3)(2) (R = Cy (7a), Ph (7b)) and the Pd-II compounds (BnNH2)(PR3) PdCl2 (R) Cy (8a), Ph (8b)), along with 1,1'-biindene. The formation of 7 is proposed to proceed by a comproportionation reaction between in situ-generated Pd-II and Pd-0 intermediates. Interestingly, the reverse of this reaction, disproportionation, also occurs spontaneously to give 2. All new compounds have been characterized by NMR spectroscopy and, in the case of 3, 4, 5, 6a, 7a, 7b, and 8a, by X-ray crystallography.

  DOI：

  10.1021/ja060747a