Year 2017, Volume 21, Issue 3, Pages 481 - 488 2017-06-01

Synthesis of brominated phenstatin derivatives via cerium (IV) ammonium nitrate / lithium bromide (CAN/LiBr) and investigation with the density functional theory (DFT)
Bromlu fenstatin türevlerinin seryum (IV) amonyum nitrat/lityum bromür (CAN/LiBr) ile sentezi ve yoğunluk fonksiyonel teorisi (DFT) ile incelenmesi

Yasin Çetinkaya [1]

389 784

In this study, (3,4-dimethoxyphenyl) (3,4,5-trimethoxyphenyl) methanone (7) being phenstatin derivation  was synthesized using Eaton's reagent (CH3SO3H / P2O5). Novel compound (2-bromo-3,4,5-trimethoxyphenyl) (3,4-dimethoxyphenyl) methanone (10) and (2,6-dibromo-3,4,5-trimethoxyphenyl) (3,4-dimethoxyphenyl) methanone (11) were   synthesized with the bromination of diarylmethanone 7 with ceric (IV) ammonium nitrate (CAN/LiBr).  In order to determine the structures of the compounds synthesized, IR, HRMS, 1H and 13C NMR spectroscopic analysis were used. Geometrical parameters of the products were optimized with the density functional theory (DFT) B3LYP method using the 6-311G(d,p) basis set implemented Gaussian 09 and analyzed their structural parameters (bond lenghts, bond angles, dihedral angles).

 Bu çalışmada, Eaton reaktifi (CH3SO3H/P2O5) kullanılarak fenstatin türevi olan (3,4-dimetoksifenil)(3,4,5-trimetoksifenil)metanon (7) sentezlendi. Diarilmetanon 7’nin seryum (IV) amonyum nitrat (CAN/LiBr) kullanılarak bromlanması ile  (2-brom-3,4,5-trimetoksifenil)(3,4-dimetoksifenil)metanon (10) ve (2,6-dibrom-3,4,5-trimetoksifenil) (3,4-dimetoksifenil)metanon (11) sentezlendi. Sentezlenen bileşiklerin yapıları IR, HRMS,  1H ve 13C NMR spektroskopisi ile aydınlatıldı. Bileşiklerin geometrik parametreleri GAUSSIAN 09W paket programı kullanılarak, yoğunluk fonksiyonel teorisi (DFT) B3LYP/6-311G(d,p) metodu ile optimize edildi ve yapısal parametreleri (bağ açıları, bağ uzunlukları ve dihedral açıları) incelendi.

Subjects Engineering
Published Date Haziran 2017
Journal Section Research Articles
Authors

Author: Yasin Çetinkaya
Country: Turkey


Dates

Publication Date: June 1, 2017

Bibtex @research article { saufenbilder270715, journal = {Sakarya University Journal of Science}, issn = {1301-4048}, eissn = {2147-835X}, address = {Sakarya University}, year = {2017}, volume = {21}, pages = {481 - 488}, doi = {10.16984/saufenbilder.270715}, title = {Synthesis of brominated phenstatin derivatives via cerium (IV) ammonium nitrate / lithium bromide (CAN/LiBr) and investigation with the density functional theory (DFT)}, key = {cite}, author = {Çetinkaya, Yasin} }
APA Çetinkaya, Y . (2017). Synthesis of brominated phenstatin derivatives via cerium (IV) ammonium nitrate / lithium bromide (CAN/LiBr) and investigation with the density functional theory (DFT). Sakarya University Journal of Science, 21 (3), 481-488. DOI: 10.16984/saufenbilder.270715
MLA Çetinkaya, Y . "Synthesis of brominated phenstatin derivatives via cerium (IV) ammonium nitrate / lithium bromide (CAN/LiBr) and investigation with the density functional theory (DFT)". Sakarya University Journal of Science 21 (2017): 481-488 <http://www.saujs.sakarya.edu.tr/issue/26996/270715>
Chicago Çetinkaya, Y . "Synthesis of brominated phenstatin derivatives via cerium (IV) ammonium nitrate / lithium bromide (CAN/LiBr) and investigation with the density functional theory (DFT)". Sakarya University Journal of Science 21 (2017): 481-488
RIS TY - JOUR T1 - Synthesis of brominated phenstatin derivatives via cerium (IV) ammonium nitrate / lithium bromide (CAN/LiBr) and investigation with the density functional theory (DFT) AU - Yasin Çetinkaya Y1 - 2017 PY - 2017 N1 - doi: 10.16984/saufenbilder.270715 DO - 10.16984/saufenbilder.270715 T2 - Sakarya University Journal of Science JF - Journal JO - JOR SP - 481 EP - 488 VL - 21 IS - 3 SN - 1301-4048-2147-835X M3 - doi: 10.16984/saufenbilder.270715 UR - https://doi.org/10.16984/saufenbilder.270715 Y2 - 2017 ER -
EndNote %0 Sakarya University Journal of Science Synthesis of brominated phenstatin derivatives via cerium (IV) ammonium nitrate / lithium bromide (CAN/LiBr) and investigation with the density functional theory (DFT) %A Yasin Çetinkaya %T Synthesis of brominated phenstatin derivatives via cerium (IV) ammonium nitrate / lithium bromide (CAN/LiBr) and investigation with the density functional theory (DFT) %D 2017 %J Sakarya University Journal of Science %P 1301-4048-2147-835X %V 21 %N 3 %R doi: 10.16984/saufenbilder.270715 %U 10.16984/saufenbilder.270715
ISNAD Çetinkaya, Yasin . "Synthesis of brominated phenstatin derivatives via cerium (IV) ammonium nitrate / lithium bromide (CAN/LiBr) and investigation with the density functional theory (DFT)". Sakarya University Journal of Science 21 / 3 (June 2017): 481-488. https://doi.org/10.16984/saufenbilder.270715
AMA Çetinkaya Y . Synthesis of brominated phenstatin derivatives via cerium (IV) ammonium nitrate / lithium bromide (CAN/LiBr) and investigation with the density functional theory (DFT). SAUJS. 2017; 21(3): 481-488.
Vancouver Çetinkaya Y . Synthesis of brominated phenstatin derivatives via cerium (IV) ammonium nitrate / lithium bromide (CAN/LiBr) and investigation with the density functional theory (DFT). Sakarya University Journal of Science. 2017; 21(3): 488-481.