Computational Study for Some Synthesised Derivatives of Mono and Di-[(E) -1-Phenylmethylene]-1-Cyclohexanone and Their Biological Activities
Article Sidebar
-
Cyclohexanone, Mon-, Diarylidine, Computational, Bacteria
Abstract
The principal interest in our study is computational study for a variety of conjugated ketones, such as mono- and diarylidene cyclohexanones, using molecular modeling calculations. The molecular modeling study adopted was quantum mechanics calculation using Gaussian 03 software. The quantum mechanics calculations were performed using the semi empirical method PM3. The synthesis route had been done through the reactions of some aromatic aldehydes derivatives with cyclohexanone. The mechanism of the formation of the products was discussed. The structure of the synthesized compounds has been confirmed by analytical and spectral methods (IR, 1HNMR and mass spectra) in addition to the elemental analysis (C, H, N). The resulting compounds were applied to the biological activity, which indicates different effects on different kinds of bacteria.
Full text article
References
[1]-David C. Young, Computational Chemistry: A Practical Guidefor Applying Techniques to Real-World Problems, New York2001, 408.
[2]-M. F. Schlecht, Molecular Modeling on the PC. Wiley-VCH, New York1998, 3-10.
[3]-Aileen H., Roger R., Timothy O., ACS Chem. Neurosci. 2011, 2, 402–410.
[4]-Arixan S. Z., Suschitzky H., Org. Chem., 1961, 10, 2242, 426.
[5]-Kohler and Chadwell, Org. Syn., 1922,2, 1.
[6]-Morrison and Boyed, Org. Chem., 3thedition, p. 709-711, Allyn & Bacon, Inc. 1977.
[7]-Sammour A., Marei A. and Hussein M.H.M, J. Chem. U.A.R, 12(4), 451, 1969.
[8]-Nakano, T., Irifune, S., Umano,S., Inada, A., Ishii, Y. and Ogawa, M. J. Org. Chem., 1987, 52, 2239-2244.
[9]-Li, J.T., Yang, W.Z., Chen, G.F. and Li, T.S. Syn. Comm., 2003, 33, 2619-2625.
[10]-Yadav, J.S., Reddy, B.V.S., Nagaraju, A. and Sarma, J.A.R.P. Microwave Assisted Synthesis of α,α'-Bis(benzylidene) ketones in Dry Media. Syn. Comm., 2002, 32, 893-896.
[11]-Zhang, X.Y., Fan, X.S., Niu, H.Y. and Wang, J.J. Green Chemistry, 2003, 5, 267-269.
[12]-Wang, L., Sheng, J., Tian, H., Han, J., Fan, Z. and Qian, C. Syn., 2004, 3060-3064.
[13]-Bigdeli, M.A., Mahdavinia, G.H., Jafari, S. and Hazarkhani, H. Cat. Comm., 2007, 8, 2229-2231.
[14]-Morrison and Boyed, Org. Chem., 6thedition, p. 979, Prentice Hall International, Inc., New Jersey 1992.
[15]-Finkbeiner H., Amer J., J. Am. Chem. Soc., 1956,87, 4588.
[16]-Glaisen L.,Claparede A., Chem. Berichte, 1881,14, 2460.
[17]-P. W. Atkins, and R. S. Friedman, Mol. Quan. Mech., Oxford, 1997, 76, 2, 170.
[18]-M.Vieth, J. D.Hirst, B. N. Domini, H. Daigler, and C. L. Brooks, J. Comp. Chem., 1998, 19,1612–1622.
[19]-Schmidt J., Chem. Berichte, 1881,14, 1459.
[20]-Singh, N., Pandey, J., Yadav, A., Chaturvedi, V., Bhatnagar, Sh., Gaikwad, A.N., Sinha, S.K., Kumar, A., Shukla, P.K. and Tripathi, R.P. Eu. J. Med. Chem., 2009, 44, 1705-1709.
[21]-Mahdavinia, G.H. and Mirzazadeh, M. E-J. Chem., 2012, 9,49-54.
[22]-Rahman, A.F.M.M., Ali, R., Jahng, Y. and Kadi, A.A. Mol., 2012, 17, 571-583.
[23]-Huang H., Jan S., Uckun F., Tet. Lett. 2000, 41, 1699-1702.
[24]-Frisch, M.J.; Trucks, G.W.; Schlegel, H.B.; Scuseria, G.E.; Robb, M.A.; Cheeseman, J.R.;Montgomery, J.A.; Vreven, T., Jr.; Kudin, K.N.; Burant, J.C.; et al. Gaussian 03, Revision B.03; Gaussian, Inc.: Pittsburgh, PA, USA, 2003.
[25]-Aizenshtar, Hausmann M., Blum J., J. My. Chem., 1977,42.
Authors
This work is licensed under a Creative Commons Attribution 4.0 International License.
In a brief statement, the rights relate to the publication and distribution of research published in the journal of the University of Sebha where authors who have published their articles in the journal of the university of Sebha should how they can use or distribute their articles. They reserve all their rights to the published works, such as (but not limited to) the following rights:
- Copyright and other property rights related to the article, such as patent rights.
- Research published in the journal of the University of Sebha and used in its future works, including lectures and books, the right to reproduce articles for their own purposes, and the right to self-archive their articles.
- The right to enter a separate article, or for a non-exclusive distribution of their article with an acknowledgment of its initial publication in the journal of Sebha University.
Privacy Statement The names and e-mail addresses entered on the Sabha University Journal site will be used for the aforementioned purposes only and for which they were used.