1,2-bis(diethylphosphino)ethane palladium(II) dichloride | 15630-09-8

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 1,2-bis(diethylphosphino)ethane palladium(II) dichloride
• 英文别名: [PdCl2(depe)]；PdCl2(1,2-bis(diethylphosphino)ethane)；dichloropalladium;2-diethylphosphanylethyl(diethyl)phosphane
• CAS: 15630-09-8
• 化学式: C₁₀H₂₄Cl₂P₂Pd
• 分子量: 383.574
• InChiKey: HAVGRQOHVJCVDK-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  5.41
• 重原子数：
  15.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  1,2-bis(diethylphosphino)ethane palladium(II) dichloride 、 silver trifluoromethanesulfonate 以 二氯甲烷 为溶剂， 以38%的产率得到[Pd(depe)(OTf)2]
  参考文献：
  名称：

  Equilibria between Metallosupramolecular Squares and Triangles with the New Rigid Linker 1,4-Bis(4-pyridyl)tetrafluorobenzene. Experimental and Theoretical Study of the Structural Dependence of NMR Data

  摘要：

  The new fluorinated rigid ligand L, 1,4-bis(4-pyridyl)tetrafluorobenzene, was used in combination with different diphosphine Pd(II) and Pt(II) triflates to build metallosupramolecular assemblies. Complex equilibria between triangular and square entities were detected for all the cases. Characterization of the equilibria was accomplished by H-1, P-31{H-1}, F-19, and Pt-195{H-1} NMR in combination with mass spectrometry. The square/triangle ratio was seen to depend on several factors, such as the nature of the metal corners, the concentration, and the solvent. The relative stability of the square and triangular complexes was explored by using force field methods. A GIAO-DFT study was carried out to analyze the changes of the P-31 and H-1 NMR data with the geometry of the complexes.

  DOI：

  10.1021/ic034489j
• 作为产物：
  描述：

  dichloro(cycloocta-1,5-diene)palladium (II) 、 1,2-双(二乙基磷)乙烷 以 丙酮 为溶剂， 以65%的产率得到1,2-bis(diethylphosphino)ethane palladium(II) dichloride
  参考文献：
  名称：

  Equilibria between Metallosupramolecular Squares and Triangles with the New Rigid Linker 1,4-Bis(4-pyridyl)tetrafluorobenzene. Experimental and Theoretical Study of the Structural Dependence of NMR Data

  摘要：

  The new fluorinated rigid ligand L, 1,4-bis(4-pyridyl)tetrafluorobenzene, was used in combination with different diphosphine Pd(II) and Pt(II) triflates to build metallosupramolecular assemblies. Complex equilibria between triangular and square entities were detected for all the cases. Characterization of the equilibria was accomplished by H-1, P-31{H-1}, F-19, and Pt-195{H-1} NMR in combination with mass spectrometry. The square/triangle ratio was seen to depend on several factors, such as the nature of the metal corners, the concentration, and the solvent. The relative stability of the square and triangular complexes was explored by using force field methods. A GIAO-DFT study was carried out to analyze the changes of the P-31 and H-1 NMR data with the geometry of the complexes.

  DOI：

  10.1021/ic034489j

文献信息

• Cyclopalladated azido complexes containing C,N-donor (HC∼N = 2-(2′-thienyl)pyridine, azobenzene, 3,3′-dimethyl azobenzene, N,N′-dimethylbenzylamine, 2-phenylpyridine) ligands: reactivity towards organic unsaturated compounds and catalytic properties
  作者：Kyung-Eun Lee、Hyeong-Tak Jeon、Sam-Yong Han、Jungyeob Ham、Yong-Joo Kim、Soon W. Lee

  DOI：10.1039/b907324h

  日期：——

  Cyclopalladated azido dimers having various C,N-donor ligands, [Pd(μ-N3)(C,N-Ln)]2 (L1H = 2-(2′-thienyl)pyridine; L2H = azobenzene; L3H = 3,3′-dimethylazobenzene; L4H = N,N′-dimethylbenzylamine; L5H = 2-phenylpyridine), underwent cleavage with tertiary (or chelating) phosphines to form the cyclopalladated [Pd(N3)(PR3)(C,N-L)], the σ-bonded [Pd(N3)(PR3)2(C-L)], or the dinuclear-cyclopalladated [PdN3(PR3)(C,N-L)]2(μ-P∼P) complexes. In particular, treating [Pd(μ-N3)(C,N-L)]2 with the basic chelating phosphine (depe or dmpe) produced the homoleptic bis(chelating) complex [Pd(C,N-Ln)2] (n = 1–3). Complex [Pd(N3)(PR3)(C,N-L4)] or [Pd(N3)(PR3)2(C-L4)] reacted with aryl isocyanides to selectively give the imidoyl [Pd(N3)(–CN–Ar)(PR3)(N-L4)] or the imidoyl carbodiimido complex [Pd(NCN–Ar)(–CN–Ar)(PR3)(N-L4)], which was formed by the CN–Ar insertion into the orthometallated Pd–C bond on the phenyl moiety or the interaction into the Pd–N3 bond of the supporting ligand. In addition, reactions of [Pd(N3)(PR3)2(C-Ln)] (n = 1, 2, 4) with R–NCS R = i-Pr, C6H4–NCS, (CH3)3Si} gave the S-coordinated tetrazole–thiolato Pd(II) complexes. Finally, the catalytic activity of the cyclopalladated azido complexes was evaluated.

  具有不同C,N供体配体的环钯化叠氮化物二聚体，[Pd(μ-N3)(C,N-Ln)]2（L1H = 2-(2′-噻吩基)吡啶；L2H = 偶氮苯；L3H = 3,3′-二甲基偶氮苯；L4H = N,N′-二甲基苄胺；L5H = 2-苯基吡啶），与叔烷基（或螯合）磷配体发生断裂反应，形成环钯化的[Pd(N3)(PR3)(C,N-L)]、σ-键合的[Pd(N3)(PR3)2(C-L)]，或双核环钯化的[PdN3(PR3)(C,N-L)]2(μ-P≡P)复合物。特别地，将[Pd(μ-N3)(C,N-L)]2与含碱的螯合磷配体（depe或dmpe）反应，生成同配位的双（螯合）复合物[Pd(C,N-Ln)2]（n = 1–3）。复合物[Pd(N3)(PR3)(C,N-L4)]或[Pd(N3)(PR3)2(C-L4)]与芳基异氰酸酯反应选择性地产生亚胺基复合物[Pd(N3)(–CN–Ar)(PR3)(N-L4)]或亚胺基碳二亚胺复合物[Pd(NCN–Ar)(–CN–Ar)(PR3)(N-L4)]，后者是通过CN–Ar插入到与苯基部分的正位金属化的Pd–C键或与支持配体的Pd–N3键的相互作用形成的。此外，[Pd(N3)(PR3)2(C-Ln)]（n = 1, 2, 4）与R–NCS（R = i-Pr, C6H4–NCS, (CH3)3Si）的反应生成了S配位的四氮杂环–硫代钯(II)复合物。最后，评估了环钯化叠氮化物复合物的催化活性。
• Cowan, Robert L.; Pourreau, Daniel B.; Rheingold, Arnold L., Inorganic Chemistry, 1987, vol. 26, # 2, p. 259 - 265
  作者：Cowan, Robert L.、Pourreau, Daniel B.、Rheingold, Arnold L.、Geib, Steven J.、Trogler, William C.

  DOI：——

  日期：——