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
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.
Atıf için künye
ÜNGÖREN, Ş. H., SAÇMACI, M., Arici, C., Şahin, E., ARSLAN, T., & Kandemirli, F. (2009). 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. PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS, 184(11), 2877–2890. https://doi.org/10.1080/10426500802591481
BibTeX
@article{ungoren2009-66670,
author = {ÜNGÖREN, ŞEVKET HAKAN and SAÇMACI, MUSTAFA and Arici, Cengiz and Şahin, Ertan and ARSLAN, TANER and Kandemirli, Fatma},
title = {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},
journal = {PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS},
year = {2009},
volume = {184},
number = {11},
pages = {2877--2890},
issn = {1042-6507},
doi = {10.1080/10426500802591481},
url = {https://akademik.atauni.edu.tr/yayinlar/66670-new-heterocyclic-phosphorus-ylides-synthesis-crystal-structure-and-theoretical}
}