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, ŞEVKET; SAÇMACI, MUSTAFA; Arici, Cengiz; ŞAHİN, Ertan; Arslan, Taner; Kandemirli, Fatma

doi:10.1080/10426500802591481

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

Copy For Citation

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

PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS, vol.184, no.11, pp.2877-2890, 2009 (SCI-Expanded)

Publication Type: Article / Article
Volume: 184 Issue: 11
Publication Date: 2009
Doi Number: 10.1080/10426500802591481
Journal Name: PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS
Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
Page Numbers: pp.2877-2890
Yozgat Bozok University Affiliated: Yes

Abstract

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.