On the Tautomerism of N-Substituted Pyrazolones: 1,2-Dihydro-3H-pyrazol-3-ones versus 1H-Pyrazol-3-ols.

نویسندگان

  • Eglė Arbačiauskienė
  • Sonata Krikštolaitytė
  • Aiva Mitrulevičienė
  • Aurimas Bieliauskas
  • Vytas Martynaitis
  • Matthias Bechmann
  • Alexander Roller
  • Algirdas Šačkus
  • Wolfgang Holzer
چکیده

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.

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عنوان ژورنال:
  • Molecules

دوره 23 1  شماره 

صفحات  -

تاریخ انتشار 2018