3743-22-4Relevant articles and documents
-
Agashe,Jose
, p. 1227,1230 (1977)
-
A competing, dual mechanism for catalytic direct benzene hydroxylation from combined experimental-DFT studies
Vilella, Laia,Conde, Ana,Balcells, David,Mar Díaz-Requejo,Lledós, Agustí,Pérez, Pedro J.
, p. 8373 - 8383 (2017/11/27)
A dual mechanism for direct benzene catalytic hydroxylation is described. Experimental studies and DFT calculations have provided a mechanistic explanation for the acid-free, TpxCu-catalyzed hydroxylation of benzene with hydrogen peroxide (Tpx = hydrotrispyrazolylborate ligand). In contrast with other catalytic systems that promote this transformation through Fenton-like pathways, this system operates through a copper-oxyl intermediate that may interact with the arene ring following two different, competitive routes: (a) electrophilic aromatic substitution, with the copper-oxyl species acting as the formal electrophile, and (b) the so-called rebound mechanism, in which the hydrogen is abstracted by the Cu-O moiety prior to the C-O bond formation. Both pathways contribute to the global transformation albeit to different extents, the electrophilic substitution route seeming to be largely favoured.
Neutral 1,3-diindolylureas for nerve agent remediation
Barba-Bon, Andrea,Costero, Ana M.,Parra, Margarita,Gil, Salvador,Martínez-Má?ez, Ram?n,Sancen?n, Félix,Gale, Philip A.,Hiscock, Jennifer R.
supporting information, p. 1586 - 1590 (2013/02/25)
Efficient neutralization of nerve-agent simulants by 1,3-diindolylureas in a neutral medium was investigated (see scheme; DCP=diethylchlorophosphate, DCNP=diethylcyanophosphonate). The rate of hydrolysis of the simulants was found to increase by as much as 45 % in the presence of these compounds. A mechanism based on the simulant complexation was established. Copyright
