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| Dublin Core |
PKP Metadata Items |
Metadata for this Document |
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| 1. |
Title |
Title of document |
Theoretical Analysis of the Regioselective Electrophilic Chloration and Chemioselective Esterification of the pyrazolo[1,5-a]pyridine-2,3-dicarboxylic acid |
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| 2. |
Creator |
Author's name, affiliation, country |
A. Barhoumi, Y. Hakmaoui, M. El Ghozlani O. Amiri, A. El Haib, M. Zoubir, S. Jorio, M. El Idrissi; Morocco |
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| 3. |
Subject |
Discipline(s) |
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| 3. |
Subject |
Keyword(s) |
DFT calculation; Sulfonyl chlorides; regioselectivity; chemoselectivity; pyrazolo[1,5-a]pyridine-2,3-dicarboxylic acid. |
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| 4. |
Description |
Abstract |
The reaction between the pyrazolo[1,5-a]pyridine-2,3-dicarboxylic acid 1 and SOCl2 has been studied within the Density Functional Theory (DFT) B3LYP/6-31G(d,p) computational level. Examination of the conceptual DFT reactivity indices permit the elucidation of the reactivity, and the regio- and chemoselectivity experimentally observed. The possible regioselective channels and chemoselective channels were explored and characterized. Analysis of the energies associated with the different reaction pathways shows that this reaction is completely chemioselective and regioselective, in conformity with the experimental results. |
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| 5. |
Publisher |
Organizing agency, location |
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| 6. |
Contributor |
Sponsor(s) |
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| 7. |
Date |
(YYYY-MM-DD) |
01-02-2020
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| 8. |
Type |
Status & genre |
Peer-reviewed Article |
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| 8. |
Type |
Type |
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| 9. |
Format |
File format |
PDF |
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| 10. |
Identifier |
Uniform Resource Identifier |
https://revues.imist.ma/index.php/morjchem/article/view/17120 |
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| 10. |
Identifier |
Digital Object Identifier (DOI) |
https://doi.org/10.48317/IMIST.PRSM/morjchem-v8i1.17120 |
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| 11. |
Source |
Title; vol., no. (year) |
Moroccan Journal of Chemistry; Vol 8, No 1 (2020) |
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| 12. |
Language |
English=en |
en |
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| 13. |
Relation |
Supp. Files |
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| 14. |
Coverage |
Geo-spatial location, chronological period, research sample (gender, age, etc.) |
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| 15. |
Rights |
Copyright and permissions |
Copyright (c) 2019 Moroccan Journal of Chemistry
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