Novel 1,2,4-Triazole Derivatives: Structure, DFT Study, X-Ray Analysis, and Antimicrobial Activity


Unluer D., Unver Y., Dugdu E., Alpaslan Y. B. , Koysal Y., Soylu M. S. , ...Daha Fazla

RUSSIAN JOURNAL OF ORGANIC CHEMISTRY, cilt.55, ss.254-261, 2019 (SCI İndekslerine Giren Dergi) identifier identifier

  • Cilt numarası: 55 Konu: 2
  • Basım Tarihi: 2019
  • Doi Numarası: 10.1134/s1070428019020192
  • Dergi Adı: RUSSIAN JOURNAL OF ORGANIC CHEMISTRY
  • Sayfa Sayıları: ss.254-261

Özet

A series of novel 4-(4-methoxyphenethyl)-3,5-disubstime-4H-1,2,4-triazoles (3) are synthesized by reacting one of hydrazonates (1) with 2-(4-methoxyphenyl)ethanamine (2). The structures of compounds 3a-3f are elucidated from IR and NMR spectra. Compounds 3b and 3d are characterized also by X-ray crystallography. DFT computations of the compounds involve Gaussian 09 software package with Gauss Viewvisualization program. In determination of geometric optimization, vibrational frequencies, chemical shift values, DFT/B3LYP method with 6-311++G(d,p) basis set is used. Newly synthesized compounds are screened for antimicrobial activity. Compounds 3c-3f containing the 4-hydroxyphenyl group demonstrate moderate antimicrobial activity.