A5022337162- Organic Chemistry Cycloaddition Reactions
- Chemical Reaction Mechanisms
- Chemistry and Chemical Engineering
- Free Radicals and Antioxidants
- X-ray Diffraction in Crystallography
- Photochemistry and Electron Transfer Studies
- Crystallization and Solubility Studies
- Structural and Chemical Analysis of Organic and Inorganic Compounds
- Inorganic and Organometallic Chemistry
- Synthesis and Reactions of Organic Compounds
- Cyclopropane Reaction Mechanisms
- Asymmetric Synthesis and Catalysis
- Molecular Junctions and Nanostructures
- Various Chemistry Research Topics
- Advanced Chemical Physics Studies
- Synthesis and Biological Evaluation
- Synthesis and Catalytic Reactions
- Synthesis and Characterization of Pyrroles
Cracow University of Technology
2018-2023
Institute of Organic Chemistry
2023
The correlation between coefficients from Dimroth equations and descriptors of global electron density transfer was explored based on the data available in recent literature. We established that obtained results should be very usable for interpretation organic reactivity molecular mechanisms.
The regioselective
The possibility of the construction five-membered heterocycles, including single heteroatom or systems with two, three and four heteroatoms were critically reviewed based on recent reports regarding to [3+2] cycloaddition reactions. Almost all analysed reaction are realized high regio- stereoselectivity.
Hetero Diels-Alder (HDA) reactions with the participation of E-2-aryl-1-cyano-1-nitroethenes and methylenecyclopentane were evaluated on basis experimental as well quantumchemical data. It was found that contrary to most known HDA reactions, title processes are realised under non-catalytic conditions full regiocontrol. The DFT study shows, without any doubt, polar but single-step reaction mechanism. Deeper exploration using Bonding Evolution Theory (BET) techniques gives a clear image...
The molecular mechanism of the addition reactions 2-aryl-3-nitro-2H-chromenes to pyrazole was evaluated in framework Molecular Electron Density Theory (MEDT) based on results the...
The molecular mechanism of the [3+2] cycloaddition reactions between aryl azides and ethyl propiolate was evaluated in framework Molecular Electron Density Theory. It found that independently nature substituent within azide molecule, process is realized via a polar but single-step mechanism. All attempts localization as postulated earlier by Abu-Orabi coworkers' zwitterionic intermediates were not successful. At same time, formation zwitterions with an "extended" conformation possible on...
In the framework of this paper we describe a new, green procedure for synthesis series 1,2-oxazine N-oxide moieties via Hetero Diels-Alder (HDA) reaction with participation (2E)-3-aryl-2-nitroprop-2-enenitriles. For contrast most known HDA reactions, described process is realized without presence Lewis acid-type catalyst as well under mild conditions, full atomic economy and selectivity. Additionally, established, that can be characterized Molecular Electron Density Theory (MEDT).
[3 + 2] Cycloaddition reactions with the participation of Z-C-(3-pyridyl)-N-methylnitrone and series E-2-R-nitroethenes were both experimentally theoretically explored in framework Molecular Electron Density Theory. It was found that all considered processes are realized under mild conditions full regio- stereocontrol. The ELF analysis additionally showed studied reaction proceeds by a two-stage, one-step mechanism.
We investigated the reactivity of different substituted nitrylimine-type three atom components (TACs) in [3+2] cycloaddition (32CAs) reactions with electrophilically activated nitroethenes within molecular electron density theory (MEDT). In parallel research, mechanism considered transformation was examined through analysis all possible reaction channels and full optimization critical structures. particular, existence zwitterionic intermediates on paths verified. On basis bonding evolution...
Czasopismo Techniczne » 2018 Volume 2 Chemistry of 2-aryl-1-cyano-1-nitroethenes. Part II. Chemical transformations A
Czasopismo Techniczne » 2018 Volume 2 Chemistry of 2-aryl-1-cyano-1-nitroethenes. Part I. Synthesis and physical properties A