53847-15-7Relevant academic research and scientific papers
Efficient Synthesis of Dimeric Oxazoles, Piperidines and Tetrahydroisoquinolines from N-Substituted 2-Oxazolones
He, Yun,Agarwal, Piyush K.,Kiran, I. N. Chaithanya,Yu, Ruocheng,Cao, Bei,Zou, Cheng,Zhou, Xinghua,Xu, Huacheng,Xu, Biao,Zhu, Lei,Lan, Yu,Nicolaou
supporting information, p. 7696 - 7701 (2016/06/09)
A mild and practical method for the construction of heterocycles from N-substituted 2-oxazolones through cascade, BF3·Et2O/H2O-catalyzed reactions involving iminium ion generation and trapping by external or internal olefinic and aryl moieties is described. Mechanistic and computational studies revealed the strong protic acid HBF4as the initiating catalyst for these cascade reactions. Providing access to novel molecular diversity, these processes may facilitate chemical biology studies, drug discovery efforts and natural products synthesis.
Radical-Stabilization-Energy - the MMEVBH Force Field
Roth, Wolfgang R.,Staemmler, Volker,Neumann, Martin,Schmuck, Carsten
, p. 1061 - 1118 (2007/10/02)
Making use of the VB method of Malrieu et al. a force field has been developed, which allows to calculate heats of formation of hydrocarbons (conjugated and non-conjugated olefins, radicals and diradicals) with high accuracy.With this method radical stabilization energies (RSE) for a great number of delocalized radicals are calculated and compared with experimental values, derived from shock-tube measurements of dissociation energies or from rotational barriers of substituted olefins.A detailed analysis of the RSE with respect to structure, substituents, strain, and aromaticity is presented. - Key Words: Resonance energy / Heats of formation / Single pulse shock tube / Intrisic rotational barrier
