About: Decarboxylation is a research topic. Over the lifetime, 9914 publications have been published within this topic receiving 193955 citations. The topic is also known as: decarboxylation reaction.
TL;DR: In this article, the density functional theory method (M05-2X/6-31G(d)) was used to investigate reaction mechanisms for deoxygenation of graphene oxides with hydrazine or heat treatment.
Abstract: The density functional theory method (M05-2X/6-31G(d)) was used to investigate reaction mechanisms for deoxygenation of graphene oxides (GOs) with hydrazine or heat treatment. Three mechanisms were identified as reducing epoxide groups of GO with hydrazine as a reducing agent. No reaction path was found for the hydrazine-mediated reductions of the hydroxyl, carbonyl, and carboxyl groups of GO. We instead discovered the mechanisms for dehydroxylation, decarbonylation, and decarboxylation using heat treatment. The hydrazine de-epoxidation and thermal dehydroxylation of GO have opposite dependencies on the reaction temperature. In both reduction types, the oxygen functionalities attached to the interior of an aromatic domain in GO are removed more easily, both kinetically and thermodynamically, than those attached at the edges of an aromatic domain. The hydrazine-mediated reductions of epoxide groups at the edges are suspended by forming hydrazino alcohols. We provide atomic-level elucidation for the deoxyge...
TL;DR: In the liquefaction process, the micellar-like broken down fragments produced by hydrolysis are degraded to smaller compounds by dehydration, dehydrogenation, deoxygenation and decarboxylation as mentioned in this paper.
TL;DR: This work presents a mechanism for the formation of acrylamide from the reaction of the amino acid asparagine and a carbonyl-containing compound at typical cooking temperatures and confirms the presence of key reaction intermediates.
Abstract: Recent findings of a potential human carcinogen, acrylamide, in foods have focused research on the possible mechanisms of formation. We present a mechanism for the formation of acrylamide from the reaction of the amino acid asparagine and a carbonyl-containing compound at typical cooking temperatures. The mechanism involves formation of a Schiff base followed by decarboxylation and elimination of either ammonia or a substituted imine under heat to yield acrylamide. Isotope substitution studies and mass spectrometric analysis of heated model systems confirm the presence of key reaction intermediates. Further confirmation of this mechanism is accomplished through selective removal of asparagine with asparaginase that results in a reduced level of acrylamide in a selected heated food.
TL;DR: A safe and convenient cross-coupling strategy for the large-scale synthesis of biaryls, commercially important structures often found in biologically active molecules, using a copper catalyst to generate the carbon nucleophiles in situ via decarboxylation of easily accessible arylcarboxylic acid salts.
Abstract: We present a safe and convenient cross-coupling strategy for the large-scale synthesis of biaryls, commercially important structures often found in biologically active molecules. In contrast to traditional cross-couplings, which require the prior preparation of organometallic reagents, we use a copper catalyst to generate the carbon nucleophiles in situ, via decarboxylation of easily accessible arylcarboxylic acid salts. The scope and potential economic impact of the reaction are demonstrated by the synthesis of 26 biaryls, one of which is an intermediate in the large-scale production of the agricultural fungicide Boscalid.