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Base mediated synthesis of functionalized 2-(alkynyl)arylnitriles and their molecular docking study with aromatase
Chandan Shah1, Pratik Yadav2, Ismail Althagafi3
1Department of Chemistry, University of Delhi, North Campus, Delhi, 110007, India. ramendrapratap@gmail.com.
Abstract:
A simple, efficient, and transition metal-free approach to synthesize functionalized 2-(alkynyl)benzonitriles has been developed using suitably functionalized 2H-pyran-2-ones and 4-phenyl/trimethylsilanyl-but-3-yn-2-ones as precursors. The reaction proceeds in the presence of a base at room temperature to yield internal as well as terminal alkynes. The structure of the synthesized compound was confirmed by single-crystal X-ray analysis. The molecular docking study was performed to evaluate the binding mode of action of newly synthesized alkyne derivatives with known human breast cancer target receptor aromatase (PDB ID: 3EQM).
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