Molecules 2015, 20(7), 13240-13263; doi:10.3390/molecules200713240
Synthesis, Spectroscopic Investigations (X-ray, NMR and TD-DFT), Antimicrobial Activity and Molecular Docking of 2,6-Bis(hydroxy(phenyl)methyl)cyclohexanone
Assem Barakat 1,4,†,*
, Hazem A. Ghabbour 2,†, Abdullah Mohammed Al-Majid 1,†, Saied M. Soliman 3,4,†, M. Ali 1,†, Yahia Nasser Mabkhot 1,†, Mohammed Rafi Shaik 1,†and Hoong-Kun Fun 2,5,â€
, Hazem A. Ghabbour 2,†, Abdullah Mohammed Al-Majid 1,†, Saied M. Soliman 3,4,†, M. Ali 1,†, Yahia Nasser Mabkhot 1,†, Mohammed Rafi Shaik 1,†and Hoong-Kun Fun 2,5,†1
Department of Chemistry, College of Science, King Saud University, P. O. Box 2455, Riyadh-11451, Saudi Arabia
2
Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, P. O. Box 2457, Riyadh 11451, Saudi Arabia
3
Department of Chemistry, Rabigh College of Science and Art, King Abdulaziz University, P. O. Box 344, Rabigh 21911, Saudi Arabia
4
Department of Chemistry, Faculty of Science, Alexandria University, P. O. Box 426, Ibrahimia, Alexandria 21321, Egypt
5
Crystallography Unit, School of Physics, Universiti Sains Malaysia, Penang 11800, Malaysia
â€
These authors contributed equally to this work.
*
Author to whom correspondence should be addressed.
Academic Editor: Jean Jacques Vanden Eynde
Received: 11 May 2015 / Revised: 11 July 2015 / Accepted: 13 July 2015 / Published: 21 July 2015
(This article belongs to the Section Organic Synthesis)
Abstract
The synthesis of 2,6-bis(hydroxy(phenyl)methyl)cyclohexanone 1 is described. The molecular structure of the title compound 1 was confirmed by NMR, FT-IR, MS, CHN microanalysis, and X-ray crystallography. The molecular structure was also investigated by a set of computational studies and found to be in good agreement with the experimental data obtained from the various spectrophotometric techniques. The antimicrobial activity and molecular docking of the synthesized compound was investigated. View Full-TextKeywords:
Aldol product; cyclohexanone; X-ray; TGA; DFT; antimicrobial activity; molecular docking
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Figure 1
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MDPI and ACS Style
Barakat, A.; Ghabbour, H.A.; Al-Majid, A.M.; Soliman, S.M.; Ali, M.; Mabkhot, Y.N.; Shaik, M.R.; Fun, H.-K. Synthesis, Spectroscopic Investigations (X-ray, NMR and TD-DFT), Antimicrobial Activity and Molecular Docking of 2,6-Bis(hydroxy(phenyl)methyl)cyclohexanone. Molecules 2015, 20, 13240-13263.
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