NDA@SZTAKI

Proton dissociation properties of arylphosphonates: Determination of accurate Hammett equation parameters

Dargó, Gergő

BĂślcskei, Adrienn

GrĂźn, Alajos

BĂŠni, Szabolcs

SzĂĄntĂł, ZoltĂĄn

Elsevier

2017

QD04 Organic chemistry / szerves kĂŠmia

R850-854 Experimental medicine / kisĂŠrleti orvostudomĂĄny

Determination of the proton dissociation constants of several arylphosphonic acid derivatives was carried out to investigate the accuracy of the Hammett equations available for this family of compounds. For the measurement of the pKa values modern, accurate methods, such as the differential potentiometric titration and NMR-pH titration were used. We found our results significantly different from the pKa values reported before (pKa1: MAE  =  0.16 pKa2: MAE = 0.59). Based on our recently measured pKa values, refined Hammett equations were determined that might be used for predicting highly accurate ionization constants of newly synthesized compounds (pKa1 = 1.70–0.894σ, pKa2 = 6.92–0.934σ).

angol

Article

PeerReviewed

info:eu-repo/semantics/article

text

http://real.mtak.hu/54167/1/Darko_G_Beni_Sz_Proton_dissocia...

Dargó, Gergő and Bölcskei, Adrienn and Grün, Alajos and Béni, Szabolcs and Szántó, Zoltán (2017) Proton dissociation properties of arylphosphonates: Determination of accurate Hammett equation parameters. JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS. ISSN 0731-7085 (In Press)

http://real.mtak.hu/54167/

https://doi.org/10.1016/j.jpba.2017.05.038

MTMT:3231320; doi:10.1016/j.jpba.2017.05.038