Synthesis infrared spectral studies and theoretical calculations of 4 phenyl 4 5 dihydrobenzo f 1 4 oxazepin 3 2H one thione
Yazarlar (4)
Hikmet Agirbas
Kocaeli Üniversitesi, Türkiye
Kocaeli Üniversitesi, Türkiye
Seda Sagdinc
Kocaeli Üniversitesi, Türkiye
Kocaeli Üniversitesi, Türkiye
Prof. Dr. Fatma Kandemirli Kocaeli Üniversitesi, Türkiye
Berat Kemal
Kocaeli Üniversitesi, Türkiye
Kocaeli Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Journal of Molecular Structure | ||
| Dergi ISSN | 0022-2860 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 01-2008 |
| Cilt / Sayı / Sayfa | 892 / 1 / 132–139 | DOI | 10.1016/j.molstruc.2008.05.023 |
| Makale Linki | http://linkinghub.elsevier.com/retrieve/pii/S0022286008003505 | ||
| UAK Araştırma Alanları |
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| Özet |
| Salicylaldehyde (1) was reacted with aniline to afford 2-[(E)-(phenylimino)methyl]phenol (2). The reduction of (2) by NaBH4 gave 2-((phenylamino)methyl)phenol (3) which was reacted with chloroacetyl chloride to give 2-chloro-N-(2-hydroxybenzyl)-N-phenylacetamide (4). Compound (4) was cyclized to 4-phenyl-4,5-dihydrobenzo[f][1,4]oxazepin-3(2H)-one (5) by NaOH in ethanol solution. The treatment of compound (5) with P2S5 gave corresponding 4-phenyl-4,5-dihydrobenzo[f][1,4]oxazepin-3(2H)-thione (6). The structures of (5) and (6) were determined by 1H NMR and IR spectra. The optimized structural parameters and vibrational frequencies of (5) and (6) were calculated by DFT with 6-31G(d,p) basis set. The mechanism of the cyclization reaction was studied by RHF with the standard 3-21G basis set. |
| Anahtar Kelimeler |
| Benzoxazepine | Chloroacetyl chloride | IR spectra | MO calculations |
Science Direct
Synthesis infrared spectral studies and theoretical calculations of 4 phenyl 4 5 dihydrobenzo f 1 4 oxazepin 3 2H one thione
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| Atıf Sayıları | |
| Google Scholar | 9 |