A study of substituent effects on the NH bond in alkyl and aryl 4,6-disubstituted-3-cyano-2-pyridones
Korelaciona analiza IR i 1H-NMR spektralnih podataka za NH vezu u alkil i aril 4,6-disupstituisanim 3-cijano-2-piridonima
Апстракт
Substituent effects on the IR stretching frequencies and 1H-NMR chemical shifts of the pyridone NH group in 4- and 6-disubstituted alkyl and aryl 3-cyano- 2-pyridones were investigated. The bands most sensitive to substituent effects from the broad and multiple IR NH band for each compound were selected by a computer calculation. The selected values of the IR frequencies and the determined 1H-NMR chemical shifts were subjected to LFER analysis, by correlations with the Hamett σm/p and Swain-Lupton F and R substituent constants.
U radu je razmatran uticaj supstituenata na IR frekvencije i 1H-NMR hemijska pomeranja za piridonsku NH grupu u 4- i 6-disupstituisanim alkil i aril 3-cijano-2-piridonima korišćenjem principa linearne korelacije slobodne energije. Za izračunavanja su primenjene Hametove σm/p konstante kao i Swain-Lupton konstante supstituenata F i R. Razvijen je kompjuterski metod za izbor IR NH traka najosetljivijih na uticaj supstituenata.
Кључне речи:
substituted 2-pyridones / LFER analysis / NH bond / IR and 1H-NMR spectraИзвор:
Journal of the Serbian Chemical Society, 2007, 72, 12, 1229-1236Издавач:
- Serbian Chemical Society, Belgrade
Финансирање / пројекти:
- Синтеза и физичко-хемијска испитивања одабраних органских једињења од потенцијалног фармаколошког значаја (RS-MESTD-MPN2006-2010-142052)
- Проучавање синтезе, структуре и активности органских једињења природног и синтетског порекла (RS-MESTD-MPN2006-2010-142063)
Институција/група
Tehnološko-metalurški fakultetTY - JOUR AU - Misić-Vuković, Milica AU - Jovanović, Slobodanka AU - Mijin, Dušan AU - Csanadi, Janos AU - Đoković, Dejan PY - 2007 UR - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/1112 AB - Substituent effects on the IR stretching frequencies and 1H-NMR chemical shifts of the pyridone NH group in 4- and 6-disubstituted alkyl and aryl 3-cyano- 2-pyridones were investigated. The bands most sensitive to substituent effects from the broad and multiple IR NH band for each compound were selected by a computer calculation. The selected values of the IR frequencies and the determined 1H-NMR chemical shifts were subjected to LFER analysis, by correlations with the Hamett σm/p and Swain-Lupton F and R substituent constants. AB - U radu je razmatran uticaj supstituenata na IR frekvencije i 1H-NMR hemijska pomeranja za piridonsku NH grupu u 4- i 6-disupstituisanim alkil i aril 3-cijano-2-piridonima korišćenjem principa linearne korelacije slobodne energije. Za izračunavanja su primenjene Hametove σm/p konstante kao i Swain-Lupton konstante supstituenata F i R. Razvijen je kompjuterski metod za izbor IR NH traka najosetljivijih na uticaj supstituenata. PB - Serbian Chemical Society, Belgrade T2 - Journal of the Serbian Chemical Society T1 - A study of substituent effects on the NH bond in alkyl and aryl 4,6-disubstituted-3-cyano-2-pyridones T1 - Korelaciona analiza IR i 1H-NMR spektralnih podataka za NH vezu u alkil i aril 4,6-disupstituisanim 3-cijano-2-piridonima EP - 1236 IS - 12 SP - 1229 VL - 72 UR - https://hdl.handle.net/21.15107/rcub_technorep_1112 ER -
@article{ author = "Misić-Vuković, Milica and Jovanović, Slobodanka and Mijin, Dušan and Csanadi, Janos and Đoković, Dejan", year = "2007", abstract = "Substituent effects on the IR stretching frequencies and 1H-NMR chemical shifts of the pyridone NH group in 4- and 6-disubstituted alkyl and aryl 3-cyano- 2-pyridones were investigated. The bands most sensitive to substituent effects from the broad and multiple IR NH band for each compound were selected by a computer calculation. The selected values of the IR frequencies and the determined 1H-NMR chemical shifts were subjected to LFER analysis, by correlations with the Hamett σm/p and Swain-Lupton F and R substituent constants., U radu je razmatran uticaj supstituenata na IR frekvencije i 1H-NMR hemijska pomeranja za piridonsku NH grupu u 4- i 6-disupstituisanim alkil i aril 3-cijano-2-piridonima korišćenjem principa linearne korelacije slobodne energije. Za izračunavanja su primenjene Hametove σm/p konstante kao i Swain-Lupton konstante supstituenata F i R. Razvijen je kompjuterski metod za izbor IR NH traka najosetljivijih na uticaj supstituenata.", publisher = "Serbian Chemical Society, Belgrade", journal = "Journal of the Serbian Chemical Society", title = "A study of substituent effects on the NH bond in alkyl and aryl 4,6-disubstituted-3-cyano-2-pyridones, Korelaciona analiza IR i 1H-NMR spektralnih podataka za NH vezu u alkil i aril 4,6-disupstituisanim 3-cijano-2-piridonima", pages = "1236-1229", number = "12", volume = "72", url = "https://hdl.handle.net/21.15107/rcub_technorep_1112" }
Misić-Vuković, M., Jovanović, S., Mijin, D., Csanadi, J.,& Đoković, D.. (2007). A study of substituent effects on the NH bond in alkyl and aryl 4,6-disubstituted-3-cyano-2-pyridones. in Journal of the Serbian Chemical Society Serbian Chemical Society, Belgrade., 72(12), 1229-1236. https://hdl.handle.net/21.15107/rcub_technorep_1112
Misić-Vuković M, Jovanović S, Mijin D, Csanadi J, Đoković D. A study of substituent effects on the NH bond in alkyl and aryl 4,6-disubstituted-3-cyano-2-pyridones. in Journal of the Serbian Chemical Society. 2007;72(12):1229-1236. https://hdl.handle.net/21.15107/rcub_technorep_1112 .
Misić-Vuković, Milica, Jovanović, Slobodanka, Mijin, Dušan, Csanadi, Janos, Đoković, Dejan, "A study of substituent effects on the NH bond in alkyl and aryl 4,6-disubstituted-3-cyano-2-pyridones" in Journal of the Serbian Chemical Society, 72, no. 12 (2007):1229-1236, https://hdl.handle.net/21.15107/rcub_technorep_1112 .