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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
Üngören Ş Hakan
Mustafa Saçmacı
Cengiz Arıcı
Ertan Şahin
Taner Arslan
Prof. Dr. Fatma KANDEMİRLİ
Kastamonu Üniversitesi, Türkiye
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
Makale Türü Özgün Makale
Makale Alt Türü SSCI, AHCI, SCI, SCI-Exp dergilerinde yayımlanan tam makale
Dergi Adı Phosphorus, Sulfur, and Silicon and the Related Elements
Dergi ISSN 1042-6507
Dergi Tarandığı Indeksler SCI-Expanded
Makale Dili İngilizce
Basım Tarihi 10-2009
Cilt No 184
Sayı 11
Sayfalar 2877 / 2890
Doi Numarası 10.1080/10426500802591481
Makale Linki http://www.tandfonline.com/doi/abs/10.1080/10426500802591481