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Reaction Yields (reaction + yield)
Selected AbstractsComputational study of the synthesis of benzoin derivatives from benzilINTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, Issue 7 2006Kevser Göçmen Topal Abstract Benzil (1,2-diphenylethane-1,2-dione) undergoes cyanide catalyzed condensation with benzaldehyde to yield O -benzoylated benzoin (2-benzoyl-1,2-diphenylethanone). In this study, the experimentally suggested mechanism has been modeled with PM3 and verified with B3LYP. The effect of the substituent on the reaction yield has been rationalized by considering two benzil derivatives; 1,2-bis(2-chlorophenyl)ethane-1,2-dione and 1,2-bis(2-fluorophenyl)ethane-1,2-dione and three benzaldehyde derivatives; o -fluorobenzaldehyde, o -methylbenzaldehyde and 2-pyridinecarboxaldehyde. The effect of the solvent has been modeled by using the isodensity-surface polarizable continuum (IPCM) model. Reactivity descriptors have been used to justify the reactivity differences of the various substituents. © 2006 Wiley Periodicals, Inc. Int J Quantum Chem, 2006 [source] Polymer-Supported Highly Enantioselective Catalyst for Nitro-Michael Addition: Tuning through Variation of the Number of H-Bond Donors and Spacer LengthADVANCED SYNTHESIS & CATALYSIS (PREVIOUSLY: JOURNAL FUER PRAKTISCHE CHEMIE), Issue 4 2009Lital Tuchman-Shukron Abstract Two series of polymer-bound bifunctional organocatalysts, based on chiral diamine scaffolds, were prepared by solid-phase synthesis. The series, incorporating a single hydrogen bond donor carbamate functionality, was notably more enantioselective in the Michael reaction of acetone and nitrostyrene than the series that includes a double hydrogen bond donor urea moiety, or the polymer-bound diamine that lacks sufficiently acidic protons. The best aminocarbamate catalyst promoted the addition of acetone to nitroolefins with enantioselectivity unmatched by known heterogeneous catalysts. Introduction of a short linear spacer between the support and the scaffold improves the activity but reduces the selectivity of the catalyst. Alternatively, an increase in the reaction yield could be induced by the benzoic acid additive. [source] Study of the Biosynthesis of 1-Octen-3-ol Using a Crude Homogenate of Agaricus bisporus in a BioreactorJOURNAL OF FOOD SCIENCE, Issue 3 2008R.O. Morawicki ABSTRACT:, 1-Octen-3-ol and 10-oxo- trans -8-decenoic acid are metabolites of the breakdown of linoleic acid (LA) by mushroom enzymes. These compounds can be produced in a bioreactor using a crude mushroom homogenate and the exogenous addition of LA and oxygen. The factors' duration of blending, mushroom,buffer ratio, effect of a surfactant, whole against partially clarified reaction broths, purity of LA, and utilization of stumps instead of whole mushrooms were studied for their effect on reaction yield using a 1-L bioreactor. The results showed the feasibility of using the more inexpensive 60%-pure LA instead of the 99%-pure LA even when a yield loss was involved. Waste stumps could be used instead of whole mushrooms with a yield decline of 26%. [source] Methyl methacrylate modification of polyolefin in a batch mixer and a twin-screw extruder experiment and kinetic modelPOLYMER ENGINEERING & SCIENCE, Issue 12 2003Jaehyug Cha Free radical grafting with methyl methacrylate onto molten polypropylene was investigated in both an internal mixer and a modular co-rotating twin-screw extruder. There has been little open literature on melt free radical grafting copolymerization of methyl methacrylate. There is also little information on the evolution of grafting reaction with respect to reaction time in an internal mixer and along the screw axes with methyl methacrylate. The influence of residence time on the degree of grafting in an internal mixer and a twin-screw extruder was studied through measuring reaction yields with respect to reaction time in a mixer and evolution of reaction yield along the screw axis. The degree of grafting increased with initial monomer and peroxide concentration. The grafting reactions with three different peroxides were also investigated. The grafting levels were similar to maleic anhydride and suggested that only an individual methyl methacrylate unit be grafted. The melt viscosity was dramatically reduced with addition of peroxide. A kinetic scheme of our reaction system for methyl methacrylate was proposed and compared with the experimental results. [source] Design of the pH Profile for Asymmetric Bioreduction of Ethyl 4-Chloro-3-oxobutyrate on the Basis of a Data-Driven MethodBIOTECHNOLOGY PROGRESS, Issue 6 2002Junghui Chen The goal of this paper was to design the optimal time-varying operating pH profile in the asymmetric reduction of ethyl 4-chloro-3-oxobutyrate by baker's yeast. Ethyl ( S)-4-chloro-3-hydroxybutyrate was produced to reach two important quality indices: reaction yield and product optical purity. The method integrated an orthogonal function approximation and an orthogonal array. The technique used a set of orthonormal functions as the basis for representing the possible profile. The optimal profile could be obtained if the orthogonal coefficients were properly adjusted. The orthogonal array was used to design and analyze the effect of each orthogonal coefficient in order to reach the optimal objective (quality) function. The performance based on the proposed strategy was significantly improved by over 10% compared with the traditional fixed pH or uncontrolled pH values during the reaction. The proposed method can be applied to the required dynamic profile in the bioreactor process to effectively improve the product quality, given good design directions and the advantage of the traditional statistical approach. [source] Improved synthesis of 5,5-diamino BINAP and application to asymmetric hydrogenation,CHINESE JOURNAL OF CHEMISTRY, Issue 9 2004Yi-Yong Huang Abstract 5,5-Diamino BINAP has been synthesized via three steps using BINAPO as starting material with high reaction yield. Present method needed only a stoichiometric quantity of nitric acid in the step of nitration of BINAPO, giving almost quantitative reaction yield. Based on 5,5-diamino BINAP, other three new BINAP derivatives have been synthesized. These modified BINAP ligands showed better catalytic properties as compared to BINAP itself in the asymmetric hydrogenation of 2,(6-methoxyl-2,-naphthyl)acrylic acid. [source] Stereoselective Synthesis of ,-Proline Derivatives from Allylamines via Domino Hydroformylation/Wittig Olefination and Aza-Michael AdditionADVANCED SYNTHESIS & CATALYSIS (PREVIOUSLY: JOURNAL FUER PRAKTISCHE CHEMIE), Issue 6 2010Andreas Farwick Abstract Under appropriate reaction conditions, a domino hydroformylation/Wittig olefination can be accomplished with derivatives of allylamines and stabilized Wittig ylides. A further highly diastereoselective aza-Michael reaction yields ,-proline derivatives. These are, for example, useful as building blocks for alkaloid syntheses. [source] Multicomponent Reactions of 1,3-Cyclohexanediones and Formaldehyde in Glycerol: Stabilization of Paraformaldehyde in Glycerol Resulted from using Dimedone as SubstrateADVANCED SYNTHESIS & CATALYSIS (PREVIOUSLY: JOURNAL FUER PRAKTISCHE CHEMIE), Issue 2-3 2010Minghao Li Abstract Glycerol has proved to be an effective promoting medium for many multicomponent reactions of 1,3-cyclohexanediones and formaldehyde. Styrenes, amines, 2-naphthol, 4-hydroxy-6-methyl-2-pyrone and 4-hydroxy-1-methyl-2-quinolone could easily react with 1,3-cyclohexanediones and paraformaldehyde in glycerol under catalyst-free conditions to afford a variety of complex skeletons in fair to excellent yields. In these reactions, glycerol not only showed a significant promoting effect on the reaction yields but also endowed the reaction system with many typical properties of green chemistry, such as cheap, renewable, recyclable and biodegradable solvent, good safety and easy separation of product. The promoting effect of glycerol for the three-component reaction of styrene, dimedone and paraformaldehyde could be attributed to a restricted formation of the methylene intermediate in glycerol. During the reaction, a physical shell, which is mainly composed of a by-product generated in the beginning of the reaction, might be formed in the surface of paraformaldehyde and plays a key role in controlling the formation of the intermediate by means of restricting the decomposition of paraformaldehyde. [source] Sharpless Asymmetric Dihydroxylation of Olefins in WaterSurfactant Media with Recycling of the Catalytic System by Membrane NanofiltrationADVANCED SYNTHESIS & CATALYSIS (PREVIOUSLY: JOURNAL FUER PRAKTISCHE CHEMIE), Issue 13 2008Abstract This paper presents a new and more sustainable alternative approach for the Sharpless catalytic asymmetric dihydroxylation (AD) of olefins using a water/surfactant system as reaction media. The AD reaction was performed using several cationic and anionic surfactants allowing yields and enantiomeric excesses higher or comparable with the conventional systems (using organic mixtures). The use of this water/surfactant medium offers the additional advantage of performing the reactions without the need of a slow addition of olefins. Asymmetric dihydroxylation of 1-hexene in a 1.5,mM sodium cholate aqueous solution, using N -methylmorpholine N -oxide (NMO) as co-oxidant was selected as model system to evaluate the feasibility of recycling the Sharpless catalytic system by nanofiltration. The reaction media was processed by nanofiltration, the product was isolated in the permeate, whereas the catalytic system and surfactant were retained by the membrane and recycled through six successive reactions, improving the catalyst turn-over number. The experimental results were compared with the ones calculated on the basis of mass balances, membrane rejections to product and reaction yields. [source] Methylation of Chitosan with Iodomethane: Effect of Reaction Conditions on Chemoselectivity and Degree of SubstitutionMACROMOLECULAR BIOSCIENCE, Issue 10 2003Elisabete Curti Abstract N,N,N -trimethylchitosan (TMC) was prepared by reacting purified chitosan with iodomethane, in the presence of sodium hydroxide, water and sodium iodide, at room temperature. The reaction medium was N -methyl-2-pyrrolidone. Different samples of TMC were obtained by adding to the reaction medium a fixed volume (5.5 mL) of aqueous NaOH solutions at different concentrations (15, 20, 30 and 40 wt.-%) and carrying out the reactions for 9 or 24 h. The features observed in the 1H and 13C NMR spectra of these chitosan derivatives, in respect of the chemical shift, number and relative intensity of the signals, depended strongly on the excess of NaOH and H3CI added to the reaction medium, but when the lowest excess was employed, the characteristics of the derivative were not affected by the reaction time to the same extent. The average degree of quaternization of these N -methylated derivatives of chitosan ranged from 10.5% to 44.8%, according to the reaction conditions. Increasing the excess of NaOH, in reactions carried out for 9 h, resulted in TMC samples with progressively higher content of trimethylated sites however, the reaction yields were correspondingly lower and O -alkylation was favored in these cases. 1H NMR spectrum of sample [AX]24h dissolved in D2O (Cp,=,10 g/L). [source] Methyl methacrylate modification of polyolefin in a batch mixer and a twin-screw extruder experiment and kinetic modelPOLYMER ENGINEERING & SCIENCE, Issue 12 2003Jaehyug Cha Free radical grafting with methyl methacrylate onto molten polypropylene was investigated in both an internal mixer and a modular co-rotating twin-screw extruder. There has been little open literature on melt free radical grafting copolymerization of methyl methacrylate. There is also little information on the evolution of grafting reaction with respect to reaction time in an internal mixer and along the screw axes with methyl methacrylate. The influence of residence time on the degree of grafting in an internal mixer and a twin-screw extruder was studied through measuring reaction yields with respect to reaction time in a mixer and evolution of reaction yield along the screw axis. The degree of grafting increased with initial monomer and peroxide concentration. The grafting reactions with three different peroxides were also investigated. The grafting levels were similar to maleic anhydride and suggested that only an individual methyl methacrylate unit be grafted. The melt viscosity was dramatically reduced with addition of peroxide. A kinetic scheme of our reaction system for methyl methacrylate was proposed and compared with the experimental results. [source] Maleic anhydride modification of polyolefin in an internal mixer and a twin-screw extruder: Experiment and kinetic modelPOLYMER ENGINEERING & SCIENCE, Issue 7 2001Jaehyug Cha There has been little effort. to quantitatively understand graft copolymerization in batch and continuous mixers. Little information exists on the evolution of grafting reactions with respect to residence time in an internal mixer or along the screw axis in a twin-screw extruder. In this study, maleic anhydride was grafted onto polypropylene in both an internal mixer and a twin screw extruder. The influence of residence time on degree of grafting in an internal mixer and a twin screw extruder was studied through measuring reaction yields with respect to reaction time in the internal mixer as well as along the screw axis in the extruder. The dependence of the degree of grafting with monomer and peroxide concentration was determined. A free radical kinetic model of the process was developed and compared to experiment. Kinetic parameters were determined. [source] Styrene grafting onto a polyolefin in an internal mixer and a twin-screw extruder: Experiment and kinetic modelPOLYMER ENGINEERING & SCIENCE, Issue 7 2001Jaehyug Cha There has been relatively little effort to quantitatively understand graft copolymerizaution in either batch mixers or twin-screw extruders. Most efforts have concentrated on grafting maleic anhydride, which does not homopolymerize. In this paper we consider grafting with styrene, which may homopolymerize as well as graft. The influence of residence time on degree of grafting in an internal mixer and a twin-screw extruder were studied by measuring reaction yields with respect to reaction time in a mixer and along the screw axis in a twin-screw extruder. The degree of grafting increased with initial monomer and peroxide concentration. Grafting reactions with three different peroxides were also investigated. The degree of styrene grafting in an internal mixer is slightly higher than that in a twin-screw extruder. The rate of reaction along the screw axis in terms of residence time seems higher than for the batch mixer. The melt viscosity dropped dramatically with addition of peroxide. A kinetic scheme is proposed and the experimental results are critically compared with it. [source] Synthesis of Dendritic BINAP Ligands and Their Applications in Asymmetric HydrogenationCHINESE JOURNAL OF CHEMISTRY, Issue 11 2002Guo-Jun Deng Abstract A new type of chiral dendritic ligands with 2,2,-bis(diphenylphosphino)-1,1,-binaphthyl (BINAP) located at the focal point of the dendrimer has been synthesized through the condensation reaction of 5-amino BINAP and Fréchet-type poly (aryl ether) dendrons with carboxyl groups as the linker in high reaction yields, respectively. The ruthenium complexes of these dendritic ligands were found to be very efficient catalysts in asymmetric hydrogenation of 2-phenylacryclic acids as well as facile catalyst recycling. [source] | |||||||||||||