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Statements

Subject Item
n2:RIV%2F61388963%3A_____%2F13%3A00399137%21RIV14-MV0-61388963
rdf:type
n10:Vysledek skos:Concept
dcterms:description
The formation of strong intramolecular hydrogen bonds was observed in a series of 2-amino-5-nitrosopyrimidines with alkylamino and arylamino substituents at positions 4 and 6. Mixtures of two rotamers differing in the orientation of the nitroso group were observed in the NMR spectra of the compounds where two distinct intramolecular hydrogen bonds could be formed. The ratio of the two rotamers depends strongly on the character of the substituents at positions 4 and 6 and can be finely tuned over a broad range of conformation ratios. The experimental results were supported by DFT calculations, which also made it possible to explain the apparent contradiction in the experimental dependence of the rotamer ratio on the Hammett constants for the arylamino substituents. The UV/vis spectra of the compounds also significantly depend on the nature of the substituents; however, the orientation of the nitroso group does not have any influence on the position of the absorption bands in the spectra. The formation of strong intramolecular hydrogen bonds was observed in a series of 2-amino-5-nitrosopyrimidines with alkylamino and arylamino substituents at positions 4 and 6. Mixtures of two rotamers differing in the orientation of the nitroso group were observed in the NMR spectra of the compounds where two distinct intramolecular hydrogen bonds could be formed. The ratio of the two rotamers depends strongly on the character of the substituents at positions 4 and 6 and can be finely tuned over a broad range of conformation ratios. The experimental results were supported by DFT calculations, which also made it possible to explain the apparent contradiction in the experimental dependence of the rotamer ratio on the Hammett constants for the arylamino substituents. The UV/vis spectra of the compounds also significantly depend on the nature of the substituents; however, the orientation of the nitroso group does not have any influence on the position of the absorption bands in the spectra.
dcterms:title
A Switchable Intramolecular Hydrogen Bond in Polysubstituted 5-Nitrosopyrimidines A Switchable Intramolecular Hydrogen Bond in Polysubstituted 5-Nitrosopyrimidines
skos:prefLabel
A Switchable Intramolecular Hydrogen Bond in Polysubstituted 5-Nitrosopyrimidines A Switchable Intramolecular Hydrogen Bond in Polysubstituted 5-Nitrosopyrimidines
skos:notation
RIV/61388963:_____/13:00399137!RIV14-MV0-61388963
n10:predkladatel
n11:ico%3A61388963
n3:aktivita
n7:I n7:P
n3:aktivity
I, P(GA13-24880S), P(VG20102015046)
n3:cisloPeriodika
20
n3:dodaniDat
n8:2014
n3:domaciTvurceVysledku
n6:1570889 n6:4679733 n6:8519544 n6:7372515
n3:druhVysledku
n14:J
n3:duvernostUdaju
n5:S
n3:entitaPredkladatele
n19:predkladatel
n3:idSjednocenehoVysledku
59129
n3:idVysledku
RIV/61388963:_____/13:00399137
n3:jazykVysledku
n18:eng
n3:klicovaSlova
NMR spectroscopy; pyrimidines; DFT calculations
n3:klicoveSlovo
n9:DFT%20calculations n9:NMR%20spectroscopy n9:pyrimidines
n3:kodStatuVydavatele
US - Spojené státy americké
n3:kontrolniKodProRIV
[D2428AE73484]
n3:nazevZdroje
Journal of Organic Chemistry
n3:obor
n15:CC
n3:pocetDomacichTvurcuVysledku
4
n3:pocetTvurcuVysledku
4
n3:projekt
n17:GA13-24880S n17:VG20102015046
n3:rokUplatneniVysledku
n8:2013
n3:svazekPeriodika
78
n3:tvurceVysledku
Čechová, Lucie Dračínský, Martin Procházková, Eliška Janeba, Zlatko
n3:wos
000326122200009
s:issn
0022-3263
s:numberOfPages
13
n12:doi
10.1021/jo401441z