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oai:figshare.com:article/34020610 2026-09-29T03:07:45Z category_1 category_4 category_12 category_873 category_39 category_132 category_135 portal_63 item_type_6 month_year_09_2026

Direct Synthesis of Dibenzotropones from o‑Alkynylaryl Nitriles via Pd(II)-Catalyzed Cascade Reaction Ayush Kumar (199516) Sankar Sau (22877456) Amit Kumar (81180) Biophysics Biochemistry Cell Biology Chemical Sciences not elsewhere classified Ecology Infectious Diseases Computational Biology dft studies elucidating >- alkynylaryl nitriles >- carbopalladation >- aryl synthetically challenging step pd readily accessible reaction mechanism palladium species palladium migration intramolecular cyclization electronic tuning control experiments 2 -< Herein, we report a one-step Pd(II)-catalyzed strategy for the synthesis of synthetically challenging and medicinally important functionalized dibenzotropone scaffolds from readily accessible <i>o</i>-alkynylaryl nitriles and electron-rich aryl boronic acids. The cascade process involves regioselective 1,2-<i>syn</i>-carbopalladation, 1,4-palladium migration, unusual <i>cis–trans</i> isomerization of <i>o</i>-aryl-palladium species and intramolecular cyclization. Electronic tuning of aryl boronic acids enables the difficult <i>cis–trans</i> isomerization process. The protocol features good substrate scope with optimal functional group tolerance and is supported by control experiments and DFT studies elucidating the reaction mechanism and regioselectivity. 2026-09-28T00:00:00Z Text Journal contribution 10.1021/acs.orglett.6c03726.s001 https://figshare.com/articles/journal_contribution/Direct_Synthesis_of_Dibenzotropones_from_o_Alkynylaryl_Nitriles_via_Pd_II_-Catalyzed_Cascade_Reaction/34020610 CC BY-NC 4.0