Electron impact ionization mass spectrometry and intramolecular cyclization in 2-substituted pyrimidin-4(3 H)-ones

Pentti Oksman, Géza Stájer, Kalevi Pihlaja, Mati Karelson

Research output: Contribution to journalArticle

18 Citations (Scopus)

Abstract

Electron impact ionization mass spectrometry indicates that the behavior of W-unsubstituted pyrirnidin-4-ones with CH2-R type substitution at C-2 differs from homologs that are N-substituted and/or 2-aryl- or 2-methyl-substituted. A dominant intramolecular cycliza-tion was found to occur between 3ZV (in agreement with the predominance of the 3NH tautomers) and the ortho positions of the aryl moiety in compounds with a CH2-aryl substitution at C-2. Theoretical calculations with an AMI SCFR method on 2-, 6-, and 2, 6-disubstituted pyrimidin-4-ones support the mass spectrometric observations.

Original languageEnglish
Pages (from-to)113-119
Number of pages7
JournalJournal of the American Society for Mass Spectrometry
Volume5
Issue number2
DOIs
Publication statusPublished - Feb 1994

ASJC Scopus subject areas

  • Structural Biology
  • Spectroscopy

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