| Title |
On the tautomerism of N-substituted pyrazolones: 1,2-dihydro-3H-pyrazol-3-ones versus 1H-pyrazol-3-ols / |
| Authors |
Arbačiauskienė, Eglė ; Krikštolaitytė, Sonata ; Mitrulevičienė, Aiva ; Bieliauskas, Aurimas ; Martynaitis, Vytas ; Bechmann, Matthias ; Roller, Alexander ; Šačkus, Algirdas ; Holzer, Wolfgang |
| DOI |
10.3390/molecules23010129 |
| Full Text |
|
| Is Part of |
Molecules.. Basel : MDPI. 2018, vol. 23, iss. 1, art. no. 129, p. 1-15.. ISSN 1420-3049 |
| Keywords [eng] |
prototropic tautomerism ; 1H-pyrazol-3-ol ; 1,2-dihydro-3H-pyrazol-3-ones ; NMR (1H ; 13C ; 15N) ; solid state NMR ; X-ray structure analysis |
| Abstract [eng] |
The tautomerism of 1-phenyl-1,2-dihydro-3H-pyrazol-3-One was investigated. An X-ray crystal structure analysis exhibits dimers of 1-phenyl-1H-pyrazol-3-ol units. Comparison of NMR (nuclear magnetic resonance) spectra in liquid state (1H, 13C, 15N) with those of “fixed” derivatives, as well as with the corresponding solid state NMR spectra reveal this compound to exist predominantly as 1H-pyrazol-3-ol molecule pairs in nonpolar solvents like CDCl3 or C6D6, whereas in DMSO-d6 the corresponding monomers are at hand. Moreover, the NMR data of different related 1H-pyrazol-3-ol derivatives are presented. |
| Published |
Basel : MDPI |
| Type |
Journal article |
| Language |
English |
| Publication date |
2018 |
| CC license |
|
