New Heterocyclic Phosphorus Ylides: Synthesis, Crystal Structure, and Theoretical Calculation of Alkyl Substituted 3-(4-Benzoyl-1,5-diphenyl-2,3-dihydro-1H-pyrazol-3-yl)-3-oxo-2-(triphenylphosphoranylidene) Propanoates


ÜNGÖREN Ş. H. , SAÇMACI M., Arici C., ŞAHİN E., Arslan T., Kandemirli F.

PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS, cilt.184, sa.11, ss.2877-2890, 2009 (SCI İndekslerine Giren Dergi) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 184 Konu: 11
  • Basım Tarihi: 2009
  • Doi Numarası: 10.1080/10426500802591481
  • Dergi Adı: PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS
  • Sayfa Sayıları: ss.2877-2890

Özet

Novel alkyl substituted 3-(4-benzoyl-1,5-diphenyl-2,3-dihydro-1H-pyrazol-3-yl)-3-oxo-2-(triphenylphosphoranylidene) propanoates (3) were synthesized from 4-benzoyl-1,5-diphenyl-1H-pyrazole-3-carbonylchloride (1) and alkyl (triphenylphosphoranylidene) acetates (2a-b). The synthesized compounds were characterized by elemental analysis, spectroscopic studies (3a-b), and single crystal X-ray diffraction (3a). The mechanism of the reaction between (1) and (2a) was studied by AM1, and the geometrical parameters of the studied molecules were also carried out in B3LYP methods with the standard 6-31G (d,p) basis set. NBO analysis were studied for 1 and 2a B3LYP methods with the standard 6-31G (d,p) basis set.