Results 1 to 10 of about 10,545 (194)

Data enhanced Hammett-equation: reaction barriers in chemical space. [PDF]

Chem Sci, 2020
We generalize Hammett's original approach to predict potential energies of activation in non aromatic molecular scaffolds with multiple substituents.
Bragato M, von Rudorff GF, von Lilienfeld OA.   +2 more
europepmc   +8 more sources

Accessing New Phenanthroline-Oxazine Scaffolds as Copper-Dependent DNA Damaging Probes. [PDF]

Chembiochem
New phenanthroline–oxazine ligands derived from natural amino acids are synthesized through an optimized, predictive strategy. When coordinated to copper, these scaffolds display tunable DNA binding, groove selectivity, and oxidative cleavage activity, revealing clear structure activity relationships and expanding the toolbox of copper‐dependent ...
Lynn R, Gibney A, Delahunt E, MacDonald-Brown S, Lence C, Kenny M, Allen M, Khaybullin R, Lukac I, Jordan A, Kellett A.   +10 more
europepmc   +2 more sources

Acidity Constants of Boronic Acids as Simply as Possible: Experimental, Correlations, and Prediction [PDF]

Molecules
The wide use of boronic compounds, especially boronic acids and benzoxaboroles, in virtually all fields of chemistry is related to their specific properties. The most important of them are the ability to form cyclic esters with diols and the complexation
Andrzej Sporzyński, Agnieszka Adamczyk-Woźniak, Dorota Zarzeczańska, Jan T. Gozdalik, Paulina Ramotowska, Wiktoria Abramczyk   +5 more
doaj   +2 more sources

Structural reactivity relationship and thermokinetic investigation of oxidation of substituted anilines by iridium (IV) in solution media [PDF]

Scientific Reports
The oxidation of para- and ortho-substituted anilines with iridium (IV) in aqueous perchloric acid has been investigated. The kinetic study reveals a first-order dependence with respect to both the oxidant and the substrates.
Riya Sailani
doaj   +2 more sources

Short Communication: Solvent Effects on ρ Values of the Hammett Equation for the Hydrolysis of Benzylidene Benzoylhydrazones [PDF]

مجلة جامعة النجاح للأبحاث العلوم الطبيعية, 1989
The effect of solvents on ρ values of the Hammett equation which characterizes the hydrolysis of Benzylidene Benzoylhydrazone (BBH) and its derivatives (m—NO2 m—CH3, m—OCH3 and m—Cl), have been studied with four solvents (MeOH, Et0H (1), n—BuOH, and DMSO)
Mohammed A. Al-Nuri
doaj   +1 more source

Protonation of maleic and fumaric acid in aqueous sulfuric acid solutions [PDF]

Journal of the Serbian Chemical Society, 2000
The protonations of maleic and fumaric acid in an acidic medium (aqueous solutions of sulfuric acid) were followed spectrophotometrically at room temperature. The acid-base equilibria were characterised qualitatively and quantitatively. The pKBH+
Jankovska Katica, Šoptrajanova Lidija, Spirevska Ilinka   +2 more
doaj   +3 more sources

Structure-reactivity correlation for the kinetics of the reaction of substituted 4-phenyl-1,4-dihydropyridines formation [PDF]

Journal of the Serbian Chemical Society, 2013
Quantitative structure-reactivity correlations for the kinetics of the Hantzsch's synthesis of substituted 4-phenyl-1,4-dihydropyridines in the reaction between ethyl m- and p-substituted benzylidene acetoacetate and enamine has been studied ...
Urošević Jovica V., Drmanić Saša Ž., Nikolić Jasmina B., Juranić Ivan O., Jovanović Bratislav Ž.   +4 more
doaj   +1 more source

Kinetic Study of the Reaction of Benzofuroxans with 2-Acetylthiophene: Effect of the Substituents on the Reaction Rate Using Hammett Equation

Orbital: The Electronic Journal of Chemistry, 2020
The present work reports kinetic study of the reaction of benzofuroxan and its derivatives with 2-acetylthiophene. Hammett equation was used to determine the rate of the reaction and substituent effect. Specifically, chloro, nitro and methyl substituted
Intisar Salih Ahmed, Damra Elhaj Mustafa
doaj   +3 more sources

Synthesis of some substituted pyrazole-1- carbothioamides and spectral correlations in 3-(2,4-dibromophenyl)-5-(substituted phenyl)-4,5-dihydro-1H-pyrazole-1- carbothioamides [PDF]

QScience Connect, 2013
Background: This study aims to synthesise a series of 1-thiocarbomyl pyrazolines, including 3-(2,4-dibromophenyl)-5-(substituted phenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamides, using solvent-free fly-ash:PTS catalyzed cyclization between chalcones and
G. Thirunarayanan, K. G.Sekar
doaj   +1 more source

Mechanistic studies of the solvolysis of alkanesulfonyl and arenesulfonyl halides

Beilstein Journal of Organic Chemistry, 2022
There have been several studies on the solvolysis mechanisms for alkanesulfonyl chlorides (RSO2Cl) and arenesulfonyl chlorides (ArSO2Cl). The earlier of these studies were reviewed a little over thirty years ago by Gordon, Maskill and Ruasse (Chem.
Malcolm J. D’Souza, Dennis N. Kevill
doaj   +1 more source