127253-26-3

Upstream product

• 119072-54-7 2,6-dimethylphenyl isonitrile 
• 62125-38-6 [Pd(P(C₆H₅)3)(CNC₆H₃(CH₃)2)Cl₂] 
• 14592-56-4 bis(acetonitrile)palladium(II) chloride 
• 21264-30-2 dichloro bis(acetonitrile) palladium(II) 
• 607-92-1 2,6-dimethylformanilide 
• 87-62-7 2,6-dimethylaniline 

Downstream Products

• 1266740-47-9 [PdCl(CNC₆H₃(CH₃)2)(HNC(C₆H₅)N(C₆H₅)CNC₆H₃(CH₃)2)] 
• 1266740-49-1 [Pd(HNC(C₆H₅)N(C₆H₅)CNC₆H₃(CH₃)2)2] 
• 1309879-53-5 [(PdCl(CNXyl))2(XylNCN(Xyl)CNC₅H₄N)] 
• 1610525-94-4 trans-dibromo-bis-(2,6-dimethylphenylisocyanide)palladium(II) 

Relevant academic research and scientific papers

Formation of Homo- and Heteronuclear Platinum(II) and Palladium(II) Carbene Complexes in the Reactions of Coordinated Isocyanides with Aminothiazaheterocycles

The reaction of 5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine with cis-dichlorobis(2,6-dimethylphenyl isocyanide)platinum(II) (cis-[PtCl2(CNXyl)2], Xyl = 2,6-Me2C6H3) gave platinum(II) monocarbene comp

Studies of Nature of Uncommon Bifurcated I-I···(I - M) Metal-Involving Noncovalent Interaction in Palladium(II) and Platinum(II) Isocyanide Cocrystals

Two isostructural trans-[MI2(CNXyl)2]·I2 (M = Pd or Pt; CNXyl = 2,6-dimethylphenyl isocyanide) metallopolymeric cocrystals containing uncommon bifurcated iodine···(metal-iodide) contact were obtained. In addition to classical halogen bonding, single-crystal X-ray diffraction analysis revealed a rare type of metal-involved stabilizing contact in both cocrystals. The nature of the noncovalent contact was studied computationally (via DFT, electrostatic surface potential, electron localization function, quantum theory of atoms in molecules, and noncovalent interactions plot methods). Studies confirmed that the I···I halogen bond is the strongest noncovalent interaction in the systems, followed by weaker I···M interaction. The electrophilic and nucleophilic nature of atoms participating in I···M interaction was studied with ED/ESP minima analysis. In trans-[PtI2(CNXyl)2]·I2 cocrystal, Pt atoms act as weak nucleophiles in I···Pt interaction. In the case of trans-[PdI2(CNXyl)2]·I2 cocrystal, electrophilic/nucleophilic roles of Pd and I are not clear, and thus the quasimetallophilic nature of the I···Pd interaction was suggested.

Difference in Energy between Two Distinct Types of Chalcogen Bonds Drives Regioisomerization of Binuclear (Diaminocarbene)PdII Complexes

The reaction of cis-[PdCl2(CNXyl)2] (Xyl = 2,6-Me2C6H3) with various 1,3-thiazol- and 1,3,4-thiadiazol-2-amines in chloroform gives a mixture of two regioisomeric binuclear diaminocarbene complexes. For 1,3-thiazol-2-amines the isomeric ratio depends on the reaction conditions and kinetically (KRs) or thermodynamically (TRs) controlled regioisomers were obtained at room temperature and on heating, respectively. In CHCl3 solutions, the isomers are subject to reversible isomerization accompanied by the cleavage of Pd-N and C-N bonds in the carbene fragment XylNCN(R)Xyl. Results of DFT calculations followed by the topological analysis of the electron density distribution within the formalism of Bader's theory (AIM method) reveal that in CHCl3 solution the relative stability of the regioisomers (ΔGexp = 1.2 kcal/mol; ΔGcalcd = 3.2 kcal/mol) is determined by the energy difference between two types of the intramolecular chalcogen bonds, viz. S?Cl in KRs (2.8-3.0 kcal/mol) and S?N in TRs (4.6-5.3 kcal/mol). In the case of the 1,3,4-thiadiazol-2-amines, the regioisomers are formed in approximately equal amounts and, accordingly, the energy difference between these species is only 0.1 kcal/mol in terms of ΔGexp (ΔGcalcd = 2.1 kcal/mol). The regioisomers were characterized by elemental analyses (C, H, N), HRESI+-MS and FTIR, 1D (1H, 13C{1H}) and 2D (1H,1H-COSY, 1H,1H-NOESY, 1H,13C-HSQC, 1H,13C-HMBC) NMR spectroscopies, and structures of six complexes (three KRs and three TRs) were elucidated by single-crystal X-ray diffraction.

Acyclic aminocarbene-like palladium complex-catalyzed Suzuki-Miyaura reaction at low catalyst loadings

A series of air-stable aminocarbene-like palladium(II) complexes were easily prepared by the reaction of bis-aromaticisocyanide-dichloropalladium(II) with N-arylbenzamidines. 0.1 mol % of the optimal palladium complex 3a showed excellent catalytic activity for Suzuki-Miyaura cross-coupling reaction at room temperature and the desired products were isolated in up to 98% yields. Moreover, a large-scale reaction showed that 0.01 mol % 3a was enough to catalyze the coupling reaction efficiently at room temperature to give the desired product in 93% yield.

Synthesis, crystal structure and VT-NMR study of cis-[PdCl 2(CNC6H3Me2-2,6)(PPh3)]

The complex cis-[PdCl2(CNC6H3Me 2-2,6)(PPh3)] has been prepared and fully characterized. Its crystal structure has been determined showing the chloro ligands in cis-disposition. A VT-NMR study shows this complex to be in equilibrium with trans-[PdCl2(PPh3)2] and cis-[PdCl 2(CNC6H3Me2-2,6)2]. The equilibrium is fast at room temperature but at -50 °C all three species are observed in solution in 10:1:1 M ratio. The activation parameters for this equilibrium have been calculated.

Eight-membered palladacycles derived from the insertion of olefins into the Pd-C bond of ortho-palladated pharmaceuticals phenethylamine and phentermine. Synthesis of stable heck-type intermediates containing accessible β-hydrogens and its use in the synt

The ortho-metalated complexes derived from phenethylamine and phentermine, [Pd(C,N-C6H4CH2CR2NH 2-2)(μ-X)]2 (R = H, X = Br (A); R = Me, X = Cl (B)), react with olefins giving (1) the produc

Palladium chemistry with stanna-closo-dodecaborate and isocyanides

The substitution equilibrium between isocyanides and stanna-closo- dodecaborate with palladium(II) was investigated. The mixed substituted products of type [(RNC)2Pd(SnB11H11)2] 2- and [(RNC)Pd(SnBsu