Conformational Study of n,n’-(Alkane-1,n-diyl)bis(2-phenyl-3,5-dihydro-4<i>H</i>-imidazol-4-one)s with Different Spacer Length
In this study, we investigated the conformational abilities of n,n’-(Alkanediyl)-bis(2-phenyl-3,5-dihydro-4<i>H</i>-imidazol-4-one)s (<b>1</b>) to gain insight into their biological potential as a platform for the generation of various QACs. Among the conformers of <b>1...
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2023-11-01
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| author | Anastasia A. Lobankova Vyacheslav S. Grinev Alevtina Yu. Yegorova |
| author_facet | Anastasia A. Lobankova Vyacheslav S. Grinev Alevtina Yu. Yegorova |
| author_sort | Anastasia A. Lobankova |
| collection | DOAJ |
| description | In this study, we investigated the conformational abilities of n,n’-(Alkanediyl)-bis(2-phenyl-3,5-dihydro-4<i>H</i>-imidazol-4-one)s (<b>1</b>) to gain insight into their biological potential as a platform for the generation of various QACs. Among the conformers of <b>1</b>, due to the flexibility of the polymethylene fragment, the phenyl rings can take on different mutual arrangements, while there is a clear tendency for the formation of π–π interactions. From the point of view of the reactivity to alkylating agents, a preliminary conclusion can be drawn about the favorable mutual arrangement of imidazolone rings located at a sufficient distance to carry out both mono- and bisalkylation to obtain bis-QAC. |
| format | Article |
| id | doaj-art-9e4ff838d16f49659e0c393fb03705c2 |
| institution | OA Journals |
| issn | 2673-4583 |
| language | English |
| publishDate | 2023-11-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Chemistry Proceedings |
| spelling | doaj-art-9e4ff838d16f49659e0c393fb03705c22025-08-20T02:00:29ZengMDPI AGChemistry Proceedings2673-45832023-11-01141610.3390/ecsoc-27-16053Conformational Study of n,n’-(Alkane-1,n-diyl)bis(2-phenyl-3,5-dihydro-4<i>H</i>-imidazol-4-one)s with Different Spacer LengthAnastasia A. Lobankova0Vyacheslav S. Grinev1Alevtina Yu. Yegorova2Institute of Chemistry, N.G. Chernyshevsky Saratov National Research State University, 83 Ulitsa Astrakhanskaya, 410012 Saratov, RussiaInstitute of Chemistry, N.G. Chernyshevsky Saratov National Research State University, 83 Ulitsa Astrakhanskaya, 410012 Saratov, RussiaInstitute of Chemistry, N.G. Chernyshevsky Saratov National Research State University, 83 Ulitsa Astrakhanskaya, 410012 Saratov, RussiaIn this study, we investigated the conformational abilities of n,n’-(Alkanediyl)-bis(2-phenyl-3,5-dihydro-4<i>H</i>-imidazol-4-one)s (<b>1</b>) to gain insight into their biological potential as a platform for the generation of various QACs. Among the conformers of <b>1</b>, due to the flexibility of the polymethylene fragment, the phenyl rings can take on different mutual arrangements, while there is a clear tendency for the formation of π–π interactions. From the point of view of the reactivity to alkylating agents, a preliminary conclusion can be drawn about the favorable mutual arrangement of imidazolone rings located at a sufficient distance to carry out both mono- and bisalkylation to obtain bis-QAC.https://www.mdpi.com/2673-4583/14/1/6bis-imidazolonesquantum chemical calculationsconformational studyquaternary ammonium compound precursors |
| spellingShingle | Anastasia A. Lobankova Vyacheslav S. Grinev Alevtina Yu. Yegorova Conformational Study of n,n’-(Alkane-1,n-diyl)bis(2-phenyl-3,5-dihydro-4<i>H</i>-imidazol-4-one)s with Different Spacer Length Chemistry Proceedings bis-imidazolones quantum chemical calculations conformational study quaternary ammonium compound precursors |
| title | Conformational Study of n,n’-(Alkane-1,n-diyl)bis(2-phenyl-3,5-dihydro-4<i>H</i>-imidazol-4-one)s with Different Spacer Length |
| title_full | Conformational Study of n,n’-(Alkane-1,n-diyl)bis(2-phenyl-3,5-dihydro-4<i>H</i>-imidazol-4-one)s with Different Spacer Length |
| title_fullStr | Conformational Study of n,n’-(Alkane-1,n-diyl)bis(2-phenyl-3,5-dihydro-4<i>H</i>-imidazol-4-one)s with Different Spacer Length |
| title_full_unstemmed | Conformational Study of n,n’-(Alkane-1,n-diyl)bis(2-phenyl-3,5-dihydro-4<i>H</i>-imidazol-4-one)s with Different Spacer Length |
| title_short | Conformational Study of n,n’-(Alkane-1,n-diyl)bis(2-phenyl-3,5-dihydro-4<i>H</i>-imidazol-4-one)s with Different Spacer Length |
| title_sort | conformational study of n n alkane 1 n diyl bis 2 phenyl 3 5 dihydro 4 i h i imidazol 4 one s with different spacer length |
| topic | bis-imidazolones quantum chemical calculations conformational study quaternary ammonium compound precursors |
| url | https://www.mdpi.com/2673-4583/14/1/6 |
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