An efficient method for the azocino[4,3-b]indole framework of strychnos alkaloids: OFT investigations on the electronic and spectroscopic properties
Küçük Resim Yok
Tarih
2019
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Scientific Publ-India
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
Tetracyclic 1,5-methanoazocino[4,3-b]indole (2) was achieved via a new synthetic approach for the synthesis of related strychnos alkaloids. These products embody the ABCD-ring system associated with the title alkaloids, as well as a one-pot construction of the ABCD ring system using tetrachloro-1,4-benzoquinone and tetrafluoro-1,4-benzoquinone, were involved as key steps. Also, the DFT-based quantum chemical calculations have been performed to evaluate the structural, electronic, and spectroscopic properties of the compound. PES (potential energy surface) scan revealed three stable conformers of the compound. The calculated FT-IR and NMR spectral data were compared with the corresponding observed values for the most stable conformer of the compound. Frontier Molecular Orbital analysis has revealed the chemical reactivity tendency and sites of the compound.
Açıklama
Anahtar Kelimeler
Uleine, azocino[4,3-b]indole, FT-IR, NMR, NBO, Concise Total-Synthesis, Optical-Properties, Complexes, Nmr
Kaynak
Journal of the Indian Chemical Society
WoS Q Değeri
Q4
Scopus Q Değeri
Cilt
96
Sayı
9
