Synthesis of 6-isomer of 5,8-O-dimethyl ether of shikonin (13), a promising anticancer scaffold, always remains a huge challenge. Herein a key intermediate for 13, 2-(1-hydroxyl-4-methyl-3-pentenyl)-1,4,5,8-tetramethoxynaphthalene (10), was obtained on the large-scale synthesis. A ring-closing/ring-opening strategy was applied to avoid the undesired reactivity posed by the side chain and racemi...

The research presented here describes the numerical optimization of a multi-step ignition model to predict the auto-ignition of dimethyl ether (DME) in a rapid compression machine. The multi-step modeling concept is aimed at capturing the ignition behavior of new oxygenated fuel blends, where detailed or reducedmechanisms are not available. Experimental data for the ignition ofDME/O2/N2mixtures...

In the presence of a chiral lithium N,P amide, alkylation of benzaldehyde results in an enantioselective formation of 1-phenyl-pentanol. This stereoselective addition reaction has herein been studied using dispersion-corrected density functional theory. For five different chiral ligands originating from amino acids the resulting enantioselectivity has been computationally determined and compare...

Due to its excellent conductivity, good thermal stability and large specific surface area, carbon nano-tubes (CNTs) were selected as support to prepare a Re-based catalyst for dimethyl ether (DME) direct oxidation to polyoxymethylene dimethyl ethers (DMMx). The catalyst performance was tested in a continuous flow type fixed-bed reactor. H3PW12O40 (PW12) was used to modify Re/CNTs to improve its...