Wang, Shijie published the artcileExperimental and theoretical studies on glucose conversion in ethanol solution to 5-ethoxymethylfurfural and ethyl levulinate catalyzed by a Bronsted acid, Product Details of C7H12O3, the main research area is Bronsted acid catalyzed glucose ethoxymethylfurfural ethyl levulinate.
The fundamental understanding of glucose conversion to 5-ethoxymethylfurfural (EMF) and Et levulinate (EL) (value-added chems. from biomass) in ethanol solution catalyzed by a Bronsted acid is limited at present. Consequently, here, the reaction pathways and mechanism of glucose conversion to EMF and EL catalyzed by a Bronsted acid were studied, using an exptl. method and quantum chem. calculations at the B3LYP/6-31G(D) and B2PLYPD3/Def2TZVP level under a polarized continuum model (PCM-SMD). By further verification through GC/MS tests, the mechanism and reaction pathways of glucose conversion in ethanol solution catalyzed by a Bronsted acid were revealed, showing that glucose is catalyzed by proton and ethanol, and ethanol plays a bridging role in the process of proton transfer. There are three main reaction pathways: through glucose and Et glucoside (G/EG), through fructose, 5-hydroxymethylfurfural (HMF), levulinic acid (LA), and EL (G/F/H/L/EL), and through fructose, HMF, EMF, and EL (G/F/H/E/EL). The G/F/H/E/EL pathway with an energy barrier of 20.8 kcal mol-1 is considered as the thermodn. and kinetics primary way, in which the reaction rate of this is highly related to the proton transfer in the isomerization of glucose to fructose. The intermediate HMF was formed from O5 via a ring-opening reaction and by the dehydration of fructose, and was further converted to the main product of EMF by etherification or by LA through hydrolysis. EMF and LA are both unstable, and can partially be transformed to EL. This study is beneficial for the insights aiding the understanding of the process and products controlling biomass conversion in ethanol solution
Physical Chemistry Chemical Physics published new progress about Alcoholysis. 539-88-8 belongs to class esters-buliding-blocks, name is Ethyl 4-oxopentanoate, and the molecular formula is C7H12O3, Product Details of C7H12O3.
Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics