Archives for Chemistry Experiments of Pd2(DBA)3

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A series of indolo[2,3-b]quinoxaline derivatives were efficiently synthesized from 2,3-dibromoquinoxaline by two pathways. A one-pot approach using Pd-catalyzed two-fold C-N coupling and C-H activation reactions gave indolo[2,3-b]quinoxaline derivatives in good yields, but with limited substrate scope. In addition, a two-step approach to indolo[2,3-b]quinoxalines was developed which is based on Pd-catalyzed Suzuki coupling reactions and subsequent annulation by Pd-catalyzed two-fold C-N coupling with aromatic and aliphatic amines. The electrochemical and photochemical properties of indolo[2,3-b]quinoxaline derivatives were investigated. These studies show that 6-(4-methoxyphenyl)-6H-indolo[2,3-b]quinoxaline showed the highest HOMO energy level and lowest band gap. This journal is the Partner Organisations 2014.

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Reference:
Chapter 1 An introduction to palladium catalysis,
Palladium/carbon catalyst regeneration and mechanical application method

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A facile Ni-catalyzed semihydrogenation of internal alkynes to (E)-alkenes using the cheap and easily handled hypophosphorous acid as a hydrogen donor was described. This reaction is featured by high reaction efficiency to produce the corresponding (E)-alkenes selectively.

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Reference:
Chapter 1 An introduction to palladium catalysis,
Palladium/carbon catalyst regeneration and mechanical application method

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In homogeneous catalysis, the catalyst is in the same phase as the reactant. The number of collisions between reactants and catalyst is at a maximum.In a patent, 32005-36-0, name is Bis(dibenzylideneacetone)palladium, introducing its new discovery. category: catalyst-palladium

Ligands (pyridin-2-ylmethylene)anilines (L1-L4) and (1-(pyridin-2-yl)ethylidene)anilines (L5-L6) were obtained by condensation reactions. These ligands react with Pd(dba)2 in the presence of methallyloxytris(dimethylamino)phosphonium hexafluorophosphate [C4H7OP(NMe2)3]+PF6- to give the corresponding monometallic cationic eta3-methallylpalladium complexes C1-C6 in high yields. All new complexes C1-C6 have been characterized by CHN analyses, 1H, 13C, 31P NMR and IR spectroscopy. Solid state and electronic structures of complex C5 have been determined.

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Reference:
Chapter 1 An introduction to palladium catalysis,
Palladium/carbon catalyst regeneration and mechanical application method

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One of the major reasons for studying chemical kinetics is to use measurements of the macroscopic properties of a system, Application In Synthesis of Tris(dibenzylideneacetone)dipalladium-chloroform, such as the rate of change in the concentration of reactants or products with time.In a article, mentioned the application of 52522-40-4, Name is Tris(dibenzylideneacetone)dipalladium-chloroform, molecular formula is C52H43Cl3O3Pd2

A recently reported palladium-catalyzed allylic substitution of vinyl-substituted cyclic carbonates (VCCs) with aryl amines represents a rare example of a regio- and enantioselective synthesis of alpha,alpha-disubstituted allylic N-aryl amines. However, the underlying reasons for this unusual selectivity profile remain elusive. In the present work, density functional theory (DFT) calculations in combination with mechanistic control experiments were performed to elucidate in detail this allylic amination manifold and the origin of the regio- and enantioselectivity. The combined data show that after oxidative addition of the VCC to Pd0, the nucleophilic attack via an originally proposed outer-sphere pathway gives, however, the opposite regioisomer compared to the experimental results. Instead, nucleophilic attack of the amine reagent via a unique type of chelation-assisted, inner-sphere pathway accounts for the experimentally observed ?branched? regioselectivity and high enantio-control.

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Reference:
Chapter 1 An introduction to palladium catalysis,
Palladium/carbon catalyst regeneration and mechanical application method

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Poly(butyl acrylate) (PBA) side chain equipped isoindigo-bithiophene (II2T) conjugated polymers have been designed and synthesized for stretchable electronic applications. The PBA segment possesses low glass transition temperature and high softness, offering a great opportunity to improve the mechanical property of semiconducting polymer thin films that typically contain lots of rigid conjugated rings. Polymers with 0, 5, 10, 20 and 100% of PBA side chains, named PII2T, PII2T-PBA5, PII2T-PBA10, PII2T-PBA20, and PII2T-PBA100, were explored, and their polymer properties, surface morphology, electrical characteristics, and strain-dependent performance were investigated systematically. The series polymers showed a charge carrier mobility of 0.06-0.8 cm2 V-1 s-1 with an on/off current ratio over 105 dependent on different amounts of PBA chains as probed using a top-contact transistor device. Moreover, we can still achieve a mobility higher than 0.2 cm2 V-1 s-1 even if 10% of PBA side chains were added (i.e., PII2T-PBA10). Such PII2T-PBA polymers, more attractive, exhibited superior thin film ductility with a low tensile modulus down to 0.12 GPa (PII2T-PBA20) due to the soft PBA side chain. The more PBA segment was incroporated, the lower modulus was reached. The mobility performance, at the same time, remained approximately 0.08 cm2 V-1 s-1 based on PII2T-PBA10 films even under a 60% strain and could be simultaneously operated over 400 stretching/releasing cycles without significant electrical degradations. The above results suggest that the rational design of soft PBA side chains provides a great potential for next-generation soft and wearable electronic applications.

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Reference:
Chapter 1 An introduction to palladium catalysis,
Palladium/carbon catalyst regeneration and mechanical application method

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The selective palladium-catalyzed carboamination of allylic alcohols is reported on the basis of the use of an easily introduced trifluoroacetaldehyde-derived tether. Aminoalkynylation reactions were realized using alkynyl bromides and commercially available phosphine ligands. For aminoarylations, a new biaryl phosphine ligand, “Fu-XPhos”, was introduced to overcome a competitive Heck pathway. The carboamination products were obtained in high yields and diastereoselectivity. The tether could be easily removed to give value-added amino alcohol building blocks.

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Reference:
Chapter 1 An introduction to palladium catalysis,
Palladium/carbon catalyst regeneration and mechanical application method

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The present invention provides a compound of the following formula, salts, racemates, diastereomers, enantiomers, esters, carbamates, phosphates, sulfates, deuterated forms and prodrugs thereof. Also provided is the use of these compounds as antibacterials, compositions comprising them and processes for their manufacture.

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Reference:
Chapter 1 An introduction to palladium catalysis,
Palladium/carbon catalyst regeneration and mechanical application method

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Advances in the efficient palladium-NHC catalysed synthesis of highly enantioenriched 2,3-trans-fused and 2-alkyl indolines via asymmetric C(sp 3)-H activation of an unactivated methylene/methyl group are reported. Very high asymmetric inductions (up to 99% ee) were achieved at reaction temperatures ranging from 120 to 160 C. Factors influencing the efficiency of the reaction (halide, pseudohalide, N-protecting group) were investigated. The reaction pathway and enantioselection were probed by detailed density functional theory (DFT) calculations (M06-L functional). The combined theoretical and experimental study shows that the Pd-NHC catalysed C(sp 3)-H arylation proceeds via a concerted metalation-deprotonation (CMD) mechanism. The CMD step is shown by DFT calculations and kinetic isotope effect measurements to be selectivity-determining. A good agreement between experimental enantioselectivities and calculated differences amongst diastereomeric activation barriers is observed.

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Reference:
Chapter 1 An introduction to palladium catalysis,
Palladium/carbon catalyst regeneration and mechanical application method

A new application about [1,1′-Bis(diphenylphosphino)ferrocene]dichloropalladium(II)

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The present invention relates to imidazopyridazine derivatives. More particularly, it relates to 4-(biphenyl-3-yl)-7H-imidazo[4,5-c]pyridazine derivatives of formula (I): and pharmaceutically acceptable salts thereof, wherein R1, R2, R3, R4 and R5 are as defined in the description. The imidazopyridazine derivatives of the present invention modulate the activity of the GABAA receptor. They are useful in the treatment of a number of conditions, including pain.

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Reference:
Chapter 1 An introduction to palladium catalysis,
Palladium/carbon catalyst regeneration and mechanical application method

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Reaction of neutral palladium(II) complexes with chelating nitrogen ligands of the phenanthroline family had been earlier found to proceed through the formation of a CO adduct, which is then reduced to another observable complex before decomposing to metallic palladium. We have now extended this study and completely characterized by single-crystal X-ray diffraction one member of this class of compounds. The intermediate is an unprecedented type of palladium(I) dimer with two bridging COs. The same complex could also be obtained by a conproportionation reaction of a Pd0 with a PdII complex. The picture of the reactivity of neutral palladium(II) complexes with phenanthroline ligands in a CO atmosphere was completed by the identification of two byproducts of the main reaction.

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Reference:
Chapter 1 An introduction to palladium catalysis,
Palladium/carbon catalyst regeneration and mechanical application method