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

Citation
Yakabi K, Hammond C, Milne K (2018). Supporting data information for "Continuous Production of Biorenewable, Polymer-Grade Lactone Monomers through Sn-β-Catalyzed Baeyer-Villiger Oxidation with hydrogen peroxide”. Cardiff University. https://doi.org/10.17035/d.2018.0045386789

Dataset Details

Publisher: Cardiff University

Date (year) of data becoming publicly available: 2018

Coverage start date: 01/01/2016

Coverage end date: 30/06/2017

Data format: .opj

Software Required: Origin or Origin Viewer (free)

Estimated total storage size of dataset: Less than 100 megabytes

Number of Files In Dataset: 1

DOI : 10.17035/d.2018.0045386789

DOI URL: http://doi.org/10.17035/d.2018.0045386789

Description

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