Synthesis and spectroscopic characterization and DFT study of benzyl 4-([1,1’-biphenyl]-4-yl)-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

YILDIRIM S., BÜYÜKMUMCU Z., Butcher R. J., Çetin G., ŞİMŞEK R.

Journal of Molecular Structure, cilt.1200, 2020 (SCI-Expanded) identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 1200
  • Basım Tarihi: 2020
  • Doi Numarası: 10.1016/j.molstruc.2019.127069
  • Dergi Adı: Journal of Molecular Structure
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, Chimica, Compendex, INSPEC
  • Anahtar Kelimeler: DFT, Hexahydroquinoline, NMR, Synthesis, XRD
  • Erzincan Binali Yıldırım Üniversitesi Adresli: Hayır

Özet

© 2019 Elsevier B.V.Calcium channel blocker compounds act on L-type calcium channels and reducing the influx of extracellular calcium ions into the cell. These are divided into three main groups, one of which is 1,4-dihydropyridine derivatives. In this study, a new compound bearing the hexahydroquinoline ring analogous to 1,4-dihydropyridine structure was synthesized and its structure proved by instrumental techniques such as mass spectroscopy, 1H NMR, 13C NMR, IR and elemental analysis. In addition to the spectral methods used, X-ray study has been carried out to realize advanced studies on the structure of the mentioned compound. The analyses of single crystal X-ray diffraction show that the title compouns crystallized in the monoclinic system with space group P 21/n. Lattice constants are a = 7.1231(3) Å, b = 30.0033(19) Å, c = 11.8361(7) Å, β = 95.698(4)°, Z = 4. Crystallographic studies also show that the molecular structure was stabilized by intramolecular, intermolecular hydrogen bonds.