Similarity in physical organic chemistry: substituent effects on the intrinsic basicity of 4-substituted pyrazoles was written by Notario, R.;Herreros, M.;El Hammadi, A.;Homan, H.;Abboud, J.-L. M.;Forfar, I.;Claramunt, R. M.;Elguero, J.. And the article was included in Journal of Physical Organic Chemistry in 1994.Application In Synthesis of 2,2,2-Trifluoro-1-(1H-pyrazol-4-yl)ethanone The following contents are mentioned in the article:
The gas-phase basicities of eight pyrazoles substituted only at position 4 (R = H, NO2, F, Cl, CO2C2H5, CH3, NH2, 1-adamantyl) were measured by Fourier transform ion cyclotron resonance. The exptl. values were treated in two ways, first by comparing these values with the AM1-calculated proton affinities. Since the correlation was reasonably good [PA(calculate) = -11.3 + 1.0634PA(exp.), n = 8, r = 0.984], a set of 17 further 4-substituted pyrazoles and their cations were calculated using the AM1 approximation and their gas-phase basicities were estimated Second, both the exptl. and the AM1-calculated values were considered within the framework of the Taft-Topsom anal. of substituent effects. Comparison of the analyses for pyrazoles and pyridines led to the unexpected result that, in spite of differences in ring size and number of heteroatoms, both systems behave remarkably alike. This study involved multiple reactions and reactants, such as 2,2,2-Trifluoro-1-(1H-pyrazol-4-yl)ethanone (cas: 161957-47-7Application In Synthesis of 2,2,2-Trifluoro-1-(1H-pyrazol-4-yl)ethanone).
2,2,2-Trifluoro-1-(1H-pyrazol-4-yl)ethanone (cas: 161957-47-7) belongs to pyrazole derivatives. The 1H-pyrazole provides an excellent means by which to provide the requisite hydrogen bond acceptor–donor motifs, whether as a monocyclic ring or as a fused indazole ring. Pyrazole the presence of this nucleus in pharmacological agents of diverse therapeutic categories such as celecoxib, a potent anti-inflammatory, the antidepressant agent fezolamide have proved the pharmacological potential of the pyrazole moiety. Application In Synthesis of 2,2,2-Trifluoro-1-(1H-pyrazol-4-yl)ethanone
Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics