Synthesis, Spectral Study and Theoretical Treatment of 2-(2-(4-bromocyclohexa-1, 3-dienyl)-4-oxo-2H- benz [1, 3] oxazin-3(4H)-ylamino)-2-oxoethyl carbamimidothioate and Derivatives.
Article Sidebar
This work is licensed under a Creative Commons Attribution 4.0 International License.
Main Article Content
Abstract
The standard heat of formation (ΔHof) and binding energy (ΔEb) for the free compound and their derivatives are calculated by using the PM3 method at 273K of Hyperchem.-8.07 program. The compound is more stable than their derivatives. furthermore to investigate the reactive site of the molecules the electrostatic potential of free derivatives is measured and pm3 is used to evaluate the vibrational spectra of the free derivatives, the frequencies are obtained approximately agreed with those values experimentally found; in addition, the calculation helps to assign clearly the most diagnostic bands .
Downloads
Metrics
Article Details
References
Haraguchi .S.K, Silva .A.A, Vidotti .G.J, dasilva.C.C, Santos. P.V, Garcia .F.P , Pedroso B., Nakamura .C.V ,2011 Antitrypanosomal Activity of Novel Benzaldehyde-Thiosemicarbazone Derivatives from Kaurenoic Acid †, Molecules, ,16,1166; DOI: https://doi.org/10.3390/molecules16021166
Abdul jabarKhAtia, 2015 ;(synthesis of new 1,3- oxazole derivatives ,AL-Mustansiriyah journal of science ,26; 32-38.
Amjad Gali , 2018, SYNTHESIS AND BIOLOGICAL EVALUATION OF SOME NEW 2- THIOXOIMIDAZOLIDIN-4-ONE DERIVATIVES (PART II).AL-Mustansiriyah Journal of Science .Vol. 29,NO.1. DOI: https://doi.org/10.23851/mjs.v29i1.111
Soroush Sardari; Samaneh Feizi; ali hossein Rezayan; Parisa Azerang ,2017; Synthesis and Biological Evaluation of Thiosemicarbazide Derivatives Endowed with High Activity toward Mycobacterium Bovis , Iranian journal of pharmaceutical research (IJPR) 16(3): ; 1128-1140. [5] Abdul jabar Kh.. Atia,Nagham.M,Layth .H, 2015, (Synthesis and characterization of new cephalexin derivatives),Researcher,7(1) ; 46-50.
Sami.G, Abdel-hassan,2014" Synthesis and characterization of some novel thiosemicarbazone derivatives containing the tetrazole moiety "Journal of Chemicaland Pharmaceutical Research, 6(11):; 460-464.
Ali Ahmadi. S, Ghazanfari. D, 2013, "One-pot synthesis of functionalized thiazolidine-4-ones from thiosemicarbazone derivatives and activated acetylenes in water as a green solvent", Iranian Journal of Catalysis 3(3); 177-181.
Kumar, S., Mane, B., Siddappa, K. J. Chem., Biol. Phys. Sci., 5(3), 2015;2802-2805.
Serya, R. A. T., Abbas A. H., Ismail, N. S. M., Esmat, A. and El Ella. Chem. Pharm. Bull., 63 ,2015; 102-116.(design ,synthesis and biological evaluation and novel quinazoline –based anti-inflammatory agents acting as PDE 4B inhibitors) DOI: https://doi.org/10.1248/cpb.c14-00737
Wan, Z., Hu, D., Li, P., Xie, D., Gan, H. Molecules, 20 ,2015;11861-11874. Synthesis, Antiviral Bioactivity of Novel 4-Thioquinazoline Derivatives Containing Chalcone Moiety.
Fatondji.H.R,Gbaguidi.F,Kpoviessi.S,Bero.J,Ha nnaert.V,Leclercq.J.QandJ.Poupaert,2011"Synthesis , characterization and trypanocidal activity of some aromaticthiosemicarbazones and their 1,3,4- thiadiazolines derivatives" ,African Journal of Pure and Applied Chemistry. 5(1); 59-64,. DOI: https://doi.org/10.4314/ijbcs.v4i6.64982
Jehan A. Hasanen ,2012, "Synthesis and mass spectra of some new 3-substituted coumarin derivatives" Der PharmaChemica,,4(5):;1923-1934. [13] Ajani, O. O., Aderohunmu, D. V., Olorunshola, S. J., Ikpo, C. O., Olanrewaju, I. O. Orient. J. Chem.,
(1) ,2016;109-120.
Pedro, M., João, J., Sofia, S., Luis, R. R., Catarina, R. R., Pedro, V. B., Alexandra, R. F. Molecules,20,2015; 16852-16891.
Zhihua Wan, Deyu Hu *, Pei Li, Dandan Xie and Xiuhai Gan; 2015,Synthesis, Antiviral Bioactivity of Novel 4-Thioquinazoline Derivatives Containing Chalcone Moiety, June Molecules 20(7);11861-11874 DOI:10.3390/molecules200711861 DOI: https://doi.org/10.3390/molecules200711861
Bahar Ahmed;Habibullah;Shamshirkhan. Chemistry and pharmacology of benzodioxanes .Organic Chemistry An India Journal Microreview,Vol.4(1), 2008;page 65-77.
Alias, M. F.; Yousif, I. Q and Ibrahim, S. Kh.,2013, Spectroscopic Characterization and Antimicrobial Activities of Som Heavy Metals Complexes of 2-hydroxy phenyl piperonalidene. J. Baghdad for Sci. 10(3): ,; 627-637. DOI: https://doi.org/10.21123/bsj.10.3.627-637
Figgis, B. and Hitchman, M..Ligand Field Theory and Its Applications. Wiley, New York. (2000).