New Heterocyclic Phosphorus Ylides Synthesis Crystal Structure and Theoretical Calculation of Alkyl Substituted 3 4 Benzoyl 1 5 diphenyl 2 3 dihydro 1 i H i pyrazol 3 yl 3 oxo 2 triphenylphosphoranylidene Propanoates title
Yazarlar (6)
Ş Hakan Üngören
Bozok Üniversitesi, Türkiye
Prof. Dr. Mustafa Saçmaci Bozok Üniversitesi, Türkiye
Cengiz Arici Hacettepe Üniversitesi, Türkiye
Prof. Dr. Ertan Şahin Atatürk Üniversitesi, Türkiye
Arş. Gör. Taner Arslan Eskişehir Osmangazi Üniversitesi, Türkiye
Prof. Dr. Fatma Kandemirli Kocaeli Üniversitesi, Türkiye
Makale Türü Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale)
Dergi Adı Phosphorus Sulfur and Silicon and the Related Elements
Dergi ISSN 1042-6507 Wos Dergi Scopus Dergi
Dergi Tarandığı Indeksler SCI-Expanded
Makale Dili İngilizce Basım Tarihi 10-2009
Cilt / Sayı / Sayfa 184 / 11 / 2877–2890 DOI 10.1080/10426500802591481
Makale Linki http://www.tandfonline.com/doi/abs/10.1080/10426500802591481
UAK Araştırma Alanları
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.
Anahtar Kelimeler
2,3-dihydro-1H-pyrazol | AM1 | B3LYP | Phosphorus ylides | Reaction mechanism | X-rays