Carbon-Atom Scavengers Enable Divergent, Selective Carbon Deletion of Azaarenes
Divergent synthesis is a powerful strategy that provides simultaneous access to multiple derivatives of a given substrate. However, the emerging developments in skeletal editing have largely delivered methods that lack this potential for diversification. Herein, we report the serendipitous discovery of reagent-controlled selective deletion of C3 or C2 carbon atoms of quinolines, affording indoles. An initial observation that an impurity in commercial samples of DBU promoted cyclization of a benzoxazepine-derived imidate led to the identification of indoline and aminoethanol as C3- and C2-selective carbon-atom scavengers, respectively. These two methods successfully convert a broad scope of quinolines and related azaarenes to the corresponding indoles and azaindoles, enabling divergent carbon deletion. In-depth mechanistic studies support the HFIP-promoted ring opening of 3,1-benzoxazepines to amidine intermediates as a rate-determining step, while providing insights into the selectivity afforded by indoline. These methods and their associated mechanisms offer a blueprint for the rational design of reagent-controlled, divergent skeletal edits.
Authors
- Jisoo Woo (ORCID: https://orcid.org/0000-0001-7356-9458)
- Mark D. Levin (ORCID: https://orcid.org/0000-0002-4461-363X)
- Alec H. Christian (ORCID: https://orcid.org/0000-0002-7032-230X)
- Michael C. Ryan (ORCID: https://orcid.org/0000-0003-1217-2339)
- Tergitë Zeqiri
Institutions
- Merck & Co., Inc., Rahway, NJ, USA (United States) (US)
- University of Chicago (US)
Publication Details
- Journal
- Journal of the American Chemical Society
- Published
- 2025-05-27
- DOI
- https://doi.org/10.1021/jacs.5c06577
- Citations
- 16
- Primary Topic
- Asymmetric Hydrogenation and Catalysis
- Type
- article
- Field-Weighted Citation Impact
- 8.60