One-Pot Multicomponent Synthesis of Thiourea Derivatives in Cyclotriphosphazenes Moieties

Zainab, Ngaini and Wan Sharifatun Handayani, binti Wan Zullkiplee and Ainaa Nadiah, Abd Halim (2017) One-Pot Multicomponent Synthesis of Thiourea Derivatives in Cyclotriphosphazenes Moieties. Journal of Chemistry. ISSN 2090-9071

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Abstract

In this study, hexasubstituted thiourea was carried out via reaction of isothiocyanato cyclophosphazene intermediates with a series of aromatics amines and amino acids in a one-pot reaction system. The reaction was not as straightforward as typical thiourea synthesis. Six unexpected thiourea derivatives 3a-f were formed in the presence of cyclotriphosphazene moieties in good yields (53-82%). The structures of 3a-f were characterized by elemental analysis and FTIR, 1H, 13C, and 31P NMR spectroscopies. The occurrence of reverse thioureas formation in a one-pot reaction system is discussed. The possible binding interaction of the synthesised thiourea 3a-b in comparison to the predicted phenyl thiourea 5a-b and the targeted 4a with enzyme enoyl ACP reductase (FabI) is also discussed. Molecular docking of the targeted hexasubstituted thiourea 4a is able to give higher binding affinity of -7.5 kcal/mol compared to 5a-b (-5.9 kcal/mol and -6.3 kcal/mol) and thiourea 3a-b (-4.5 kcal/mol and -4.7 Kcal/mol). © 2017 Zainab Ngaini et al.

Item Type: E-Article
Uncontrolled Keywords: Thiourea, unimas, university, universiti, Borneo, Malaysia, Sarawak, Kuching, Samarahan, ipta, education, research, Universiti Malaysia Sarawak
Subjects: Q Science > QD Chemistry
Divisions: Academic Faculties, Institutes and Centres > Faculty of Resource Science and Technology
Depositing User: Ibrahim
Date Deposited: 13 Oct 2017 01:14
Last Modified: 13 Oct 2017 01:14
URI: http://ir.unimas.my/id/eprint/17892

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