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. O. , BÜYÜKMUMCU Z., Butcher R. J. , ÇETİN G., ŞİMŞEK R.

JOURNAL OF MOLECULAR STRUCTURE, vol.1200, 2020 (Peer-Reviewed Journal) identifier identifier

  • Publication Type: Article / Article
  • Volume: 1200
  • Publication Date: 2020
  • Doi Number: 10.1016/j.molstruc.2019.127069
  • Journal Indexes: Science Citation Index Expanded, Scopus, Academic Search Premier, Chimica, Compendex, INSPEC


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, H-1 NMR, C-13 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) angstrom, b = 30.0033(19) angstrom, c = 11.8361(7) angstrom, beta = 95.698(4)degrees, Z = 4. Crystallographic studies also show that the molecular structure was stabilized by intramolecular, intermolecular hydrogen bonds. (C) 2019 Elsevier B.V. All rights reserved.