Synthesis and evaluation of aromaticity and tautomerization of pyrazolopyridazin(on)es
JOURNAL OF CHEMICAL SCIENCES, cilt.129, sa.6, ss.741-752, 2017 (SCI-Expanded, Scopus)
- Yayın Türü: Makale / Tam Makale
- Cilt numarası: 129 Sayı: 6
- Basım Tarihi: 2017
- Doi Numarası: 10.1007/s12039-017-1293-3
- Dergi Adı: JOURNAL OF CHEMICAL SCIENCES
- Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
- Sayfa Sayıları: ss.741-752
- Açık Arşiv Koleksiyonu: AVESİS Açık Erişim Koleksiyonu
- Van Yüzüncü Yıl Üniversitesi Adresli: Evet
Özet
Aromaticity of pyrazolopyridazin(on)es was investigated using NICS(0), NICS(1), NICSzz(1), FIPC-NICS and HOMA aromaticity indexes and it was observed that aromaticity of pyridazin(on)es was amenable to aromaticity of pyrazole and vice versa. Some tautomeric forms of pyridazinone were analyzed and the localized orbital locator maps, electron density maps, Fuzzy, Laplacian, and Mayer bond order methods showed dominant form. Different substituents, amine, chlorine, phenyl, methyl, hydrogen, substituted-phenyl, etc. on both the rings were chosen to search out the substituent effect. Aromaticity of pyrazolopyridazin(on)es was searched out in detail for the first time.