Neat lipase-catalysed kinetic resolution of racemic 1-phenylethanol and a straightforward modelling of the reaction

Varga, Z.; Kmecz, Ildikó; Szécsényi, Àgnes; Székely, Edit

doi:10.1080/10242422.2017.1360292

Cited by 9 publications

(6 citation statements)

References 26 publications

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“…Also, the addition of inhibitors would result in the growth of operation steps and cost. Several acyl donors were applied to replace vinyl esters so far, such as isopropenyl esters, triglycerides, and ionic liquid anhydride . The high price of these acyl donors makes them inapplicable for industrial processes.…”

Section: Introductionmentioning

confidence: 99%

Binary Isobaric Vapor–Liquid Equilibrium for the System of 1-Phenylethanol + Ethyl Butyrate + Ethanol +1-Phenylethyl Butyrate at 101.3 kPa

et al. 2020

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The enzymatic reaction−distillation coupling process is a promising technology to realize the chiral resolution of (R/S)-1-phenylethanol with ethyl butyrate and ethanol as acyl donor and byproduct, respectively. In order to design such a coupling process, the vapor−liquid equilibrium (VLE) data are necessary. However, these data were incomplete in literatures. In this work, the isobaric VLE experiments were conducted at 101.3 kPa for the binary systems of 1-phenylethanol + ethyl butyrate, 1-phenylethanol + ethanol, 1-phenylethyl butyrate + ethyl butyrate, 1phenylethyl butyrate + ethanol, and 1-phenylethyl butyrate +1-pheny ethanol. Additionally, the saturated vapor pressure of 1-phenylethyl butyrate was measured in the temperature range 420−500 K and correlated with the Antoine equation. Both the Non-Random Two Liquid (NRTL) and Wilson models were used for the correlation of experimental VLE data. Both models showed satisfactory accuracy, although the Wilson model performed slightly better than the NRTL model. This work would provide important thermodynamic information for the design of enzymatic reaction−distillation coupling process to realize the chiral resolution of (R/S)-1-phenylethanol.

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Section: Introductionmentioning

confidence: 99%

Binary Isobaric Vapor–Liquid Equilibrium for the System of 1-Phenylethanol + Ethyl Butyrate + Ethanol +1-Phenylethyl Butyrate at 101.3 kPa

et al. 2020

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“…Although the most accepted mechanism theory for the of lipase catalysed reactions is the ping-pong bi-bi mechanism [25][26][27], if there is a large excess of one of the reactants, as it is in this case, first order kinetics might be also applied. [28] Enantioselectivities of all reactions were >1000 meaning highly enantioselective catalysis.…”

Section: Resultsmentioning

confidence: 99%

One pot kinetic resolution and product separation with corn germ oil and supercritical carbon dioxide

Kmecz

Varga

Székely

2018

The Journal of Supercritical Fluids

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“…The simplest model reduces the reactions to a pseudo-first-order kinetic approximation, generally the model of choice for most kinetic fittings. ,,, It is assumed that the catalyzed reactions proceed sufficiently to completion that they may be considered irreversible. Vinyl acetate is considered to be present in significant excess, and the enzyme activation reaction is considered to reach equilibrium extremely rapidly.…”

Section: Modelingmentioning

confidence: 99%

Kinetic Modeling of a Consecutive Enzyme-Catalyzed Enantioselective Reaction in Supercritical Media

2020

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Based on experimental data of both batch and continuous enzyme-catalyzed kinetic resolutions of (±)- trans -1,2-cyclohexanediol in supercritical carbon dioxide, kinetic models of increasing complexity were developed to explore the strengths and drawbacks of various modeling approaches. The simplest, first-order model proved to be a good fit for the batch experimental data in regions of high reagent concentrations but failed elsewhere. A more complex system that closely follows the true mechanism was able to fit the full range of experimental data, find constant reaction rate coefficients, and was successfully used to predict the results of the same reaction run continuously in a packed bed reactor. Care must be taken when working with such models, however, to avoid problems of overfitting; a more complex model is not always more accurate. This work may serve as an example for more rigorous reaction modeling and reactor design in the future.

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Neat lipase-catalysed kinetic resolution of racemic 1-phenylethanol and a straightforward modelling of the reaction

Cited by 9 publications

References 26 publications

Binary Isobaric Vapor–Liquid Equilibrium for the System of 1-Phenylethanol + Ethyl Butyrate + Ethanol +1-Phenylethyl Butyrate at 101.3 kPa

Binary Isobaric Vapor–Liquid Equilibrium for the System of 1-Phenylethanol + Ethyl Butyrate + Ethanol +1-Phenylethyl Butyrate at 101.3 kPa

One pot kinetic resolution and product separation with corn germ oil and supercritical carbon dioxide

Kinetic Modeling of a Consecutive Enzyme-Catalyzed Enantioselective Reaction in Supercritical Media

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