17294-89-2Relevant academic research and scientific papers
Quantum-chemical substantiation of the reactivity and regioselectivity of nitration of biphenyl derivatives
Kofanov,Sokolov,Kolobov,Ovchinnikov
, p. 1269 - 1271 (2001)
Quantum-chemical calculations were used to substantiate the reactivity and regioselectivity of nitration of benzene, biphenyl, and carboxy-substituted biphenyls.
Construction of a family of biphenyl combinatorial libraries: Structure- activity studies utilizing libraries of mixtures
Neustadt, Bernard R.,Smith, Elizabeth M.,Lindo, Neil,Nechuta, Terry,Bronnenkant, Alan,Wu, Arthur,Armstrong, Lydia,Kumar, Chandra
, p. 2395 - 2398 (1998)
A set of biphenyl aminoacid building blocks has been synthesized. These were used to construct partially-peptidic combinatorial libraries as equimolar multi-component samples. Activity of members of this library as vitronectin receptor antagonists is described, together with SAR studies of the most active members. These studies illustrate several important features of combinatorial libraries.
The effect of carboxy group on nitration of carboxylic acids from biphenyl series
Kolobov,Ovchinnikov,Kofanov,Krasovskaya,Danilova,Kazina
, p. 1653 - 1655 (2007/10/03)
Nitration of benzene, 2-biphenylcarcoxylic acid, and 3,4-biphenyldicarboxylic acid in acetic acid medium was studied. Under identic conditions mononitration of benzene and 3,4-biphenyldicarboxylic acid occurred with similar rate and in zero order with respect to substrate. The nitration of 2-biphenylcarboxylic acid was faster than that of benzene and was first order with respect to the acid. The result obtained was rationalized as primary interaction of the carboxy group of the 2-biphenylcarboxylic acid with the nitracidium ion. The interaction between the nitrating species and the carboxy groups of the 3,4-biphenyldicarboxylic acid does not afford nitrated products.
The Fragment Ion C13H9O2 m/z 197 in the Mass Spectra of 2-(2'-R-phenyl)benzoic Acids
Gillis, Richard G.,Porter, Quentin N.
, p. 203 - 207 (2007/10/02)
In the electron impact mass spectrum of 2-(2'-R-phenyl)benzoic acids where R = H, NO2, OCH3, COOH, or Br, an abundant fragment ion m/z 197 is formed by an ipso substitution in which R is expelled as a radical.The structure of the ion m/z 197 has been shown by collision-activated dissociation to be identical with that of the protonated molecule formed by methane chemical ionization of 6H-dibenzopyran-6-one.
Intramolecular Cyclisations of Biphenyl-2-carboxyl Radicals: Evidence for a Π-State Aroyloxyl Radical
Glover, Stephen A.,Golding, Stephen L.,Goosen, Andre,McCleland, Cedric W.
, p. 842 - 848 (2007/10/02)
Biphenyl-2-carboxyl radicals generated by homolysis of acyl hypoiodites cyclise intramoleculary giving mainly δ-lactones through Ar2-6 cyclisation. 2'-Alkoxybiphenyl-2-carboxyl radicals do not give the expected Ar1-5 cyclisation product but undergo a homolytic ipso-substitution of the 2'-substituent.The phenanthrene-4-carboxyl radical gives 5H-phenanthropyran-5-one.Consideration of the molecular orbitals involved suggests that the biphenyl-2-carboxyl radicals are in the ?-ground state and have a higher energy, and, therefore, a less thermally accessible Σ-state than the corresponding amido-radicals.It is suggested that acyloxyl radicals which readily decarboxylate have either a Σ-ground state or a thermally accessible excited Σ-state.
