Cho, Chul-Woong et al. published their research in Journal of Physical Chemistry B in 2011 | CAS: 125652-55-3

1-Butyl-3-methylpyridinium Chloride (cas: 125652-55-3) belongs to pyridine derivatives. Pyridine’s the lone pair does not contribute to the aromatic system but importantly influences the chemical properties of pyridine, as it easily supports bond formation via an electrophilic attack. Reduced pyridines, namely tetrahydropyridines, dihydropyridines and piperidines, are found in numerous natural and synthetic compounds. The synthesis and reactivity of these compounds have often been driven by the fact many of these compounds have interesting and unique pharmacological properties. Application of 125652-55-3

Ionic liquids: predictions of physicochemical properties with experimental and/or DFT-calculated LFER parameters to understand molecular interactions in solution was written by Cho, Chul-Woong;Preiss, Ulrich;Jungnickel, Christian;Stolte, Stefan;Arning, Juergen;Ranke, Johannes;Klamt, Andreas;Krossing, Ingo;Thoeming, Jorg. And the article was included in Journal of Physical Chemistry B in 2011.Application of 125652-55-3 This article mentions the following:

We present evolutionary models to predict the octanol-water partition coefficients (log P), water solubilities, and critical micelle concentrations (CMCs) of ionic liquids (ILs), as well as the anionic activity coefficients and hydrophobicities in pure water and octanol-water. They are based on a polyparameter linear free energy relationship (LFER) using measured and/or DFT-calculated LFER parameters: hydrogen-bonding acidity (A), hydrogen-bonding basicity (B), polarizability/dipolarity (S), excess molar refraction (E), and McGowan volume (V) of IL ions. With both calculated or exptl. LFER descriptors of IL ions, the physicochem. parameters were predicted with an errors of 0.182-0.217 for the octanol-water partition coefficient and 0.131-0.166 logarithmic units for the water solubility Because exptl. determined solute parameters of anions are not currently available, the CMC, anionic activity coefficient, and hydrophobicity were predicted with quantum-chem. methods with R2 values of at least 0.99, as well as errors below 0.168 logarithmic units. These new approaches will facilitate the assessment of the tech. applicability and environmental fate of ionic compounds even before their synthesis. In the experiment, the researchers used many compounds, for example, 1-Butyl-3-methylpyridinium Chloride (cas: 125652-55-3Application of 125652-55-3).

1-Butyl-3-methylpyridinium Chloride (cas: 125652-55-3) belongs to pyridine derivatives. Pyridine’s the lone pair does not contribute to the aromatic system but importantly influences the chemical properties of pyridine, as it easily supports bond formation via an electrophilic attack. Reduced pyridines, namely tetrahydropyridines, dihydropyridines and piperidines, are found in numerous natural and synthetic compounds. The synthesis and reactivity of these compounds have often been driven by the fact many of these compounds have interesting and unique pharmacological properties. Application of 125652-55-3

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem