The automated Reaction Mechanism Generator (RMG), using rate parameters derived from ab initio CCSD(T) calculations, is used to build reaction networks for the thermal decomposition of di-tert-butyl sulfide. Simulation results were compared with data from pyrolysis experiments with and without the addition of a cyclohexene inhibitor. Purely free-radical chemistry did not properly explain the re...

Mechanistic studies indicate that the oxomolybdenum(vi) bis(3,5-di-tert-butylcatecholate) fragment deoxygenates pyridine-N-oxides in a reaction where the oxygen is delivered to molybdenum but the electrons for substrate reduction are drawn from the bound catecholate ligands, forming 3,5-di-tert-butyl-1,2-benzoquinone.

Eleven new 2,6-di-tert-butyl-4-(5-aryl-1,3,4-oxadiazol-2-yl)phenols 5a-k were synthesized by reacting aryl hydrazides with 3,5-di-tert butyl 4-hydroxybenzoic acid in the presence of phosphorus oxychloride. The resulting compounds were characterized based on their IR, ¹H-NMR, ¹³C-NMR, and HRMS data. 2,2-Diphenyl-1-picrylhydrazide (DPPH) and ferric reducing antioxidant power (FRAP) assays were us...

3-tert-Butylhydroxyanisole (3-BHA) is an antioxidant which can have a modulating effect on chemical carcinogenesis. Information concerning the metabolism of 3-BHA is incomplete. In the present study, the metabolites formed by incubating 3-BHA with liver microsomes from rats given beta-naphthoflavone by p.o. intubation were studied. Three metabolites were identified, two major metabolites and a ...

ABSTRACT Depending on the reaction conditions, different aluminium dialkylmalonate derivatives were obtained by reaction of aluminium alkoxides Al(OR)3 (R = Et, iPr, tBu) with dialkylmalonates, viz. Al(malonate)3 (malonate = dimethyl, diethyl, di-iso-propyl and di-tert-butyl malonate), Al2(OiPr)4(malonate)2 (malonate = di-iso-propyl and di-tert-butyl malonate), Al2(OiPr)2(di-iso-propylmalonate)...

The antioxidative activity of ferrocenes bearing either 2,6-di-tert-butylphenol or phenyl groups has been compared using DPPH (1,1-diphenyl-2-picrylhydrazyl) test and in the study of the in vitro impact on lipid peroxidation in rat brain homogenate and on some characteristics of rat liver mitochondria. The results of DPPH test at 20 degrees C show that the activity depends strongly upon the pre...

Abbreviations used: Acm, acetamidomethyl; Boc, tert-butoxycarbonyl; Bzl, benzyl; Bzl(4-Me), 4-methylbenzyl; DPDS, di(2-pyridyl)disulfide; DMSO, dimethylsulfoxide; Fmoc, 9-fluorenylmethoxycarbonyl; Mob, 4-methoxybenzyl; Npys, 3-nitro-2-pyridylsulfanyl; Pys, 2-pyridylsulfanyl; StBu, tert-butylsulfanyl; sec, selenocysteine; tBu, tert-butyl; TFA, trifluoroacetic acid; TfOH, trifluoromethanesulfonic...

We synthesized two hexaazaphenalene derivatives, 6AP-Pm (2,5-di(tert-butyl)-1,3,4,6,7,9b-hexaazaphenalene) and 6AP-Pz (2,5-di(tert-butyl)-1,3,4,6,8,9b-hexaazaphenalene) compared the electronic properties with pentaazaphenalene derivative 5AP (2,5-di(tert-butyl)-1,3,4,6,9b-pentaazaphenalene). clarified position-dependent effects of aza-substitution on states followed by optical electrochemical p...

Ruthenium-catalyzed butadiene-mediated benzannulation enabled the first synthesis of 3,10-(di-tert-butyl)rubicene and its N-doped derivatives as well preliminary studies on their photophysical properties. Unlike parent rubicene 3,10-(di-tert-butyl)rubicene, which adopt classical herringbone-type packing motifs in solid state, congener 7 b displayed columnar with an alternating co-facial arrange...