The Experts below are selected from a list of 360 Experts worldwide ranked by ideXlab platform
Antoni Martinezandreu - One of the best experts on this subject based on the ideXlab platform.
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isobaric vapor liquid equilibria for 1 propanol water 1 ethyl 3 methylimidazolium trifluoromethanesulfonate at 100 kpa
Journal of Chemical & Engineering Data, 2008Co-Authors: Vicent A Orchilles, Pablo J Miguel, Ernesto Vercher, Antoni MartinezandreuAbstract:Isobaric vapor−liquid equilibria for the binary systems 1-propanol + water, 1-propanol + 1-ethyl-3-methylimidazolium trifluoromethanesulfonate ([emim][triflate]), and water + [emim][triflate] as well as the vapor−liquid equilibria for the 1-propanol + water + [emim][triflate] ternary system have been obtained at 100 kPa using a recirculating still. Electrolyte NRTL fitting parameters for the 1-propanol + water and water + [emim][triflate] systems were calculated. The measured ternary data were correlated using Mock’s electrolyte NRTL model which reproduces reasonably well the experimental values. The results show that the addition of [emim][triflate] to 1-propanol + water produced an important salting-out effect, and the model predicts that at 100 kPa the azeotrope disappears when the mole fraction of ionic liquid in the liquid phase is greater than 0.34.
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isobaric vapor liquid equilibria for ethyl acetate ethanol 1 ethyl 3 methylimidazolium trifluoromethanesulfonate at 100 kpa
Journal of Chemical & Engineering Data, 2007Co-Authors: Vicent A Orchilles, Pablo J Miguel, And Ernesto Vercher, Antoni MartinezandreuAbstract:Isobaric vapor−liquid equilibria for the binary systems ethyl acetate + ethanol, ethyl acetate + 1-ethyl-3-methylimidazolium trifluoromethanesulfonate ([emim][triflate]), and ethanol + [emim][triflate] as well as the vapor−liquid equilibria for the ethyl acetate + ethanol + [emim][triflate] ternary system have been obtained at 100 kPa using a recirculating still. NRTL fitting parameters for the ethyl acetate + ethanol and ethanol + [emim][triflate] systems were calculated. The measured ternary data were correlated using the Mock electrolyte NRTL model, which reproduces reasonably well the experimental values. The results suggest that the addition of [emim][triflate] to the ethyl acetate + ethanol mixture produced an important salting-out effect, and the azeotrope disappears when the mole fraction of ionic liquid in the liquid phase is greater than 0.20.
Vicent A Orchilles - One of the best experts on this subject based on the ideXlab platform.
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isobaric vapor liquid equilibria for 1 propanol water 1 ethyl 3 methylimidazolium trifluoromethanesulfonate at 100 kpa
Journal of Chemical & Engineering Data, 2008Co-Authors: Vicent A Orchilles, Pablo J Miguel, Ernesto Vercher, Antoni MartinezandreuAbstract:Isobaric vapor−liquid equilibria for the binary systems 1-propanol + water, 1-propanol + 1-ethyl-3-methylimidazolium trifluoromethanesulfonate ([emim][triflate]), and water + [emim][triflate] as well as the vapor−liquid equilibria for the 1-propanol + water + [emim][triflate] ternary system have been obtained at 100 kPa using a recirculating still. Electrolyte NRTL fitting parameters for the 1-propanol + water and water + [emim][triflate] systems were calculated. The measured ternary data were correlated using Mock’s electrolyte NRTL model which reproduces reasonably well the experimental values. The results show that the addition of [emim][triflate] to 1-propanol + water produced an important salting-out effect, and the model predicts that at 100 kPa the azeotrope disappears when the mole fraction of ionic liquid in the liquid phase is greater than 0.34.
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isobaric vapor liquid equilibria for ethyl acetate ethanol 1 ethyl 3 methylimidazolium trifluoromethanesulfonate at 100 kpa
Journal of Chemical & Engineering Data, 2007Co-Authors: Vicent A Orchilles, Pablo J Miguel, And Ernesto Vercher, Antoni MartinezandreuAbstract:Isobaric vapor−liquid equilibria for the binary systems ethyl acetate + ethanol, ethyl acetate + 1-ethyl-3-methylimidazolium trifluoromethanesulfonate ([emim][triflate]), and ethanol + [emim][triflate] as well as the vapor−liquid equilibria for the ethyl acetate + ethanol + [emim][triflate] ternary system have been obtained at 100 kPa using a recirculating still. NRTL fitting parameters for the ethyl acetate + ethanol and ethanol + [emim][triflate] systems were calculated. The measured ternary data were correlated using the Mock electrolyte NRTL model, which reproduces reasonably well the experimental values. The results suggest that the addition of [emim][triflate] to the ethyl acetate + ethanol mixture produced an important salting-out effect, and the azeotrope disappears when the mole fraction of ionic liquid in the liquid phase is greater than 0.20.
Stephen L Buchwald - One of the best experts on this subject based on the ideXlab platform.
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a fluorinated ligand enables room temperature and regioselective pd catalyzed fluorination of aryl Triflates and bromides
Journal of the American Chemical Society, 2015Co-Authors: Aaron C Sather, Hong Geun Lee, Valentina Y De La Rosa, Yang Yang, Peter Muller, Stephen L BuchwaldAbstract:A new biaryl monophosphine ligand (AlPhos, L1) allows for the room-temperature Pd-catalyzed fluorination of a variety of activated (hetero)aryl Triflates. Furthermore, aryl Triflates and bromides that are prone to give mixtures of regioisomeric aryl fluorides with Pd-catalysis can now be converted to the desired aryl fluorides with high regioselectivity. Analysis of the solid-state structures of several Pd(II) complexes, as well as density functional theory (DFT) calculations, shed light on the origin of the enhanced reactivity observed with L1.
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mild palladium catalyzed cyanation of hetero aryl halides and Triflates in aqueous media
Applied Categorical Structures, 2015Co-Authors: Daniel T Cohen, Stephen L BuchwaldAbstract:A mild, efficient, and low-temperature palladium-catalyzed cyanation of (hetero)aryl halides and Triflates is reported. Previous palladium-catalyzed cyanations of (hetero)aryl halides have required higher temperatures to achieve good catalytic activity. This current reaction allows the cyanation of a general scope of (hetero)aryl halides and Triflates at 2–5 mol % catalyst loadings with temperatures ranging from rt to 40 °C. This mild method was applied to the synthesis of lersivirine, a reverse transcriptase inhibitor.
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simple efficient catalyst system for the palladium catalyzed amination of aryl chlorides bromides and Triflates
Journal of Organic Chemistry, 2000Co-Authors: John P Wolfe, Hiroshi Tomori, Joseph P Sadighi, Jingjun Yin, Stephen L BuchwaldAbstract:Palladium complexes supported by (o-biphenyl)P(t-Bu)2 (3) or (o-biphenyl)PCy2 (4) are efficient catalysts for the catalytic amination of a wide variety of aryl halides and Triflates. Use of ligand 3 allows for the room-temperature catalytic amination of many aryl chloride, bromide, and triflate substrates, while ligand 4 is effective for the amination of functionalized substrates or reactions of acyclic secondary amines. The catalysts perform well for a large number of different substrate combinations at 80−110 °C, including chloropyridines and functionalized aryl halides and Triflates using 0.5−1.0 mol % Pd; some reactions proceed efficiently at low catalyst levels (0.05 mol % Pd). These ligands are effective for almost all substrate combinations that have been previously reported with various other ligands, and they represent the most generally effective catalyst system reported to date. Ligands 3 and 4 are air-stable, crystalline solids that are commercially available. Their effectiveness is believed t...
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palladium catalyzed amination of aryl Triflates
Journal of Organic Chemistry, 1997Co-Authors: John P Wolfe, Stephen L BuchwaldAbstract:The conversion of aryl Triflates to the corresponding aniline derivatives was accomplished in moderate to good yield using a catalyst consisting of the combination of palladium acetate (2 mol %) and either BINAP or Tol-BINAP. In contrast to the corresponding palladium-catalyzed amination of aryl bromides and iodides, electronically neutral aryl Triflates gave higher yields of arylamines than did electron deficient aryl Triflates, presumably due to the increased rate of base-promoted triflate cleavage in electron deficient substrates.
Pablo J Miguel - One of the best experts on this subject based on the ideXlab platform.
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isobaric vapor liquid equilibria for 1 propanol water 1 ethyl 3 methylimidazolium trifluoromethanesulfonate at 100 kpa
Journal of Chemical & Engineering Data, 2008Co-Authors: Vicent A Orchilles, Pablo J Miguel, Ernesto Vercher, Antoni MartinezandreuAbstract:Isobaric vapor−liquid equilibria for the binary systems 1-propanol + water, 1-propanol + 1-ethyl-3-methylimidazolium trifluoromethanesulfonate ([emim][triflate]), and water + [emim][triflate] as well as the vapor−liquid equilibria for the 1-propanol + water + [emim][triflate] ternary system have been obtained at 100 kPa using a recirculating still. Electrolyte NRTL fitting parameters for the 1-propanol + water and water + [emim][triflate] systems were calculated. The measured ternary data were correlated using Mock’s electrolyte NRTL model which reproduces reasonably well the experimental values. The results show that the addition of [emim][triflate] to 1-propanol + water produced an important salting-out effect, and the model predicts that at 100 kPa the azeotrope disappears when the mole fraction of ionic liquid in the liquid phase is greater than 0.34.
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isobaric vapor liquid equilibria for ethyl acetate ethanol 1 ethyl 3 methylimidazolium trifluoromethanesulfonate at 100 kpa
Journal of Chemical & Engineering Data, 2007Co-Authors: Vicent A Orchilles, Pablo J Miguel, And Ernesto Vercher, Antoni MartinezandreuAbstract:Isobaric vapor−liquid equilibria for the binary systems ethyl acetate + ethanol, ethyl acetate + 1-ethyl-3-methylimidazolium trifluoromethanesulfonate ([emim][triflate]), and ethanol + [emim][triflate] as well as the vapor−liquid equilibria for the ethyl acetate + ethanol + [emim][triflate] ternary system have been obtained at 100 kPa using a recirculating still. NRTL fitting parameters for the ethyl acetate + ethanol and ethanol + [emim][triflate] systems were calculated. The measured ternary data were correlated using the Mock electrolyte NRTL model, which reproduces reasonably well the experimental values. The results suggest that the addition of [emim][triflate] to the ethyl acetate + ethanol mixture produced an important salting-out effect, and the azeotrope disappears when the mole fraction of ionic liquid in the liquid phase is greater than 0.20.
Ernesto G Occhiato - One of the best experts on this subject based on the ideXlab platform.
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carbonylative suzuki miyaura coupling reaction of lactam lactone and thiolactone derived enol Triflates for the synthesis of unsymmetrical dienones
European Journal of Organic Chemistry, 2007Co-Authors: Laura Bartali, Antonio Guarna, Paolo Larini, Ernesto G OcchiatoAbstract:A thorough study of the carbonylative Suzuki–Miyaura cross-coupling reaction of enol Triflates with alkenylboronic acids for the synthesis of unsymmetrical dienones is reported. Conditions were found that enabled the coupling of structurally different enol Triflates derived from lactams, lactones, and thiolactones (i.e., cyclic ketene aminal, acetal, and thioacetal Triflates, respectively) with various alkenylboronic acids at room temperature under 1 atm of CO pressure with 1–5 % palladium catalyst; the carbonylated products were obtained in 50–86 % overall yields. The methodology allows for a convergent and rapid preparation of substrates useful in conjugate additions and Nazarov reactions. (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2007)
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preparation and suzuki miyaura coupling reactions of tetrahydropyridine 2 boronic acid pinacol esters
Journal of Organic Chemistry, 2005Co-Authors: Ernesto G Occhiato, And Fabrizio Lo Galbo, Antonio GuarnaAbstract:A study on the conversion of lactam-derived vinyl Triflates and phosphates into the corresponding vinyl boronates was carried out. While δ-valerolactam-derived vinyl Triflates were successfully converted into 1,4,5,6-tetrahydropyridine-2-boronic acid pinacol ester derivatives by Pd-catalyzed coupling reaction with both bis(pinacolato)diboron and pinacolborane, pyrrolidinone and e-caprolactam derivatives either did not react or were readily reduced. The δ-valerolactam-derived vinyl boronates are thermally stable compounds that efficiently coupled, under Pd catalysis, with structurally diverse aryl and heteroaryl bromides and Triflates, vinyl iodides and bromides, and aromatic acid chlorides, to give the corresponding 2-substituted piperidines in good to excellent yields. The number of electrophiles that can virtually be coupled with these new boronic esters makes them very useful reagents for the synthesis of N-heterocyclic compounds.
