title: Deprotonation mechanism of new antihypertensive piperidinylmethylphenols: a combined experimental and theoretical study.
abstract: Four new antihypertensive piperidinylmethylphenol compounds were synthesized for their potential antihypertensive and antiarhythmic properties. The pKa values were determined experimentally, with the aid of the program SQUAD, by capillary zone electrophoresis (CZE) at T=298.15 K and 0.015 M ionic strength (I=0.05 M) and by UV spectrophotometry at pseudophysiological conditions (T=310.15 K and I=0.15 M), obtaining good agreement between the values determined with both techniques. A theoretical study was followed in order to propose a deprotonation mechanism for each compound.
authors: Departamento de Química, Area de Química Analítica, Universidad Autónoma Metropolitana-Iztapalapa, Ap. Postal 55-534, San Rafael Atlixco 186. Col. Vicentina, 09340 México, D.F. Mexico.
authors: José Manuel
authors: JM
authors: Islas-Martínez
authors: Damaris
authors: D
authors: Rodríguez-Barrientos
authors: Annia
authors: A
authors: Galano
authors: Enrique
authors: E
authors: Angeles
authors: Luis A
authors: LA
authors: Torres
authors: Fabiola
authors: F
authors: Olvera
authors: María Teresa
authors: MT
authors: Ramírez-Silva
authors: Alberto
authors: A
authors: Rojas-Hernández
mesh_terms: D000959:Antihypertensive Agents / Q000138:chemical synthesis / Q000737:chemistry*; D003198:Computer Simulation; D019075:Electrophoresis, Capillary; D006863:Hydrogen-Ion Concentration; D008956:Models, Chemical; D009994:Osmolar Concentration; D010636:Phenols / Q000138:chemical synthesis / Q000737:chemistry*; D010880:Piperidines / Q000138:chemical synthesis / Q000737:chemistry*; D011522:Protons; D013056:Spectrophotometry, Ultraviolet
chemical_list: D000959:Antihypertensive Agents; D010636:Phenols; D010880:Piperidines; D011522:Protons; C547111:piperidinylmethylphenol