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Supporting data information for "Continuous Production of Biorenewable, Polymer-Grade Lactone Monomers through Sn-β-Catalyzed Baeyer-Villiger Oxidation with hydrogen peroxide”

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posted on 2024-10-30, 07:31 authored by K Yakabi, Ceri Hammond, Kirstie Milne

Data set contains kinetic information of 2-substituted and 4-substituted cyclohexanone (R-CyO) Baeyer Villiger oxidation (BVO) reactions using hydrogen peroxide as oxidant and 2%Sn-Beta as heterogeneous catalyst, in batch mode. Reaction conditions: 0.33M R-CyO in 1,4-dioxane (10 mL), H2O2/R-CyO=1.5:1, 1 mol% Sn at 100 C for a periof of 6 h.

Substrates tested are: Cyclohexanone (CyO), 2-Methylcylcohexanone (2-Me-CyO), 2-Ethylcyclohexanone (2-Eth-CyO), 2-Isopropylcyclohexanone (2-iPr-CyO), 2-tertbutylcyclohexanone (2-tBu-CyO), 4-Methylcylcohexanone (4-Me-CyO), 4-Ethylcyclohexanone (4-Eth-CyO), 4-Isopropylcyclohexanone (4-iPr-CyO) and 4-tertbutylcyclohexanone (4-tBu-CyO).

Columns describe: Conversion of R-Cyclohexanone (X, %), Yield of R-Caprolactone (Y, %), Selectivity of R-Caprolactone (S, %), Carbon Balance (C Bal, %) and Turnover frequency (TOF, h-1) at different times (min) for each substrate tested. It includes also a comparison of initial TOF (at 10 min of reaction, h-1) of 2-R-CyO and 4-R-CyO as function of R.

Data set contains also kinetic information of BVO reaction of Cyclohexanone and 4-iPr-CyO in continuous mode (plug flow reactor (PFR)) for a period of 60 h. Reaction conditions: Reactant feed of 0.33M cyclohexanone and 0.5M H2O2 in 1,4-dioxane with a contact time of 5.5 min under a pressure of 10 bar, at 100 C.

Columns describe: Conversion of R-Cyclohexanone (X, %), Selectivity of R-Caprolactone (S, %), Turnover (TON), Turnover frequency (TOF, h-1) and Space-time yield (STY, g prod kg-1 cat cm-3 h-1) as function of time (min).

Research results based upon these data are published at http://doi.org/10.1002/cssc.201701298


Funding

EPSRC Centre for Doctoral Training in Catalysis (2014-04-01 - 2022-09-30); Hutchings, Graham. Funder: Engineering and Physical Sciences Research Council

From plant to plastic: a continuous catalytic route for the production of bio-renewable polymers (2015-10-01 - 2018-09-30); Yakabi Diosdado, Laura. Funder: Engineering and Physical Sciences Research Council

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  • English-United States (EN-US)

Data-collection start date

2016-01-01

Data-collection end date

2017-06-30

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