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This work describes the successful synthesis of salicylaldehyde-derived Schiff baselinked organosilicon compounds following a highly efficient click approach. Hydroxyl-terminated Schiff bases were alkylated to bis-acetylenes (1-3) which upon 3 + 2 cycloaddition with 3-azidopropyltriethoxysilane yielded triazole-decorated bis-silanes (4-6). These silanes further underwent base-catalyzed transesterification to afford Schiff base-linked triazole-bound organosilatranes (7-9). The final silatranes as well as precursor alkynes and silanes were comprehensively characterized using NMR ( 1 H and 13 C) and infrared spectroscopic techniques together with elemental analysis and mass spectrometry of compounds 7-9. Also, the structures of alkynes 1-3 and silatrane 7 were validated using single-crystal X-ray crystallography. Organosilatranes were initially screened for their pharmacokinetic profile using absorption, distribution, metabolism, excretion and toxicity (ADMET) tools and then explored for their antimicrobial activities, with compound 9 emerging as the most potent antimicrobial agent. Compounds 1-3 and 7-9 also underwent thorough computational analysis by applying the density functional theory (DFT) approach with B3LYP/6-31G(d) level of theory and the results were found to be consistent with the experimental data. Several DFT-based descriptors were also evaluated providing a valuable insight into molecular stability and reactivity.

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All the synthesized silatranes were effective in promoting root and shoot growth of wheat and maize. Furthermore, an efficient green microwave methodology was successful for the synthesis of silatranes. These observations pave the way for silatranes as efficient plant growth regulators for crops. © 2018 Society of Chemical Industry.

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