Serendipity results as a driving force in the synthesis of EDG-substituted isatins DOI
Sergey V. Ryabukhin, Semen S. Bondarenko,

Anatolii M. Fedorchenko

et al.

Synthesis, Journal Year: 2024, Volume and Issue: 56(22), P. 3431 - 3442

Published: Aug. 7, 2024

Abstract An efficient synthetic procedure for the synthesis of isatins was found after careful analysis serendipitous results unexpected products obtained by aromatic nucleophilic substitution when it attempted to introduce 6-fluoroisatins classic Pfitzinger reaction. Attentive these led elaborating a methodology synthesizing electron-enriched isatins, including those with hydroxy-, alkoxy-, alkylthio-, and dialkylamino-substituted rings. Limitations method were established. The reaction conditions optimized according understanding water’s role. Finally, modified yield expected 2-substituted 7-fluoroquinoline-4-carboxylic acids.

Language: Английский

Evolution of a Green and Sustainable Manufacturing Process for Belzutifan: Part 1─Process History and Development Strategy DOI
Daniel A. DiRocco, Yong‐Li Zhong, Diane N. Le

et al.

Organic Process Research & Development, Journal Year: 2024, Volume and Issue: 28(2), P. 404 - 412

Published: Feb. 5, 2024

An improved synthesis has been developed for belzutifan, a novel HIF-2α inhibitor the treatment of Von Hippel–Lindau (VHL) disease-associated renal cell carcinoma (RCC). The efficiency previous supply and commercial routes was encumbered by lengthy 5-step sequence, needed to install chiral benzylic alcohol traditional methods. Identification directed evolution FoPip4H, an iron/α-ketoglutarate dependent hydroxylase, enabled direct enantioselective C–H hydroxylation simple indanone starting material. While this enabling transformation set stage greatly synthesis, several other key innovations were made including development base-metal-catalyzed sulfonylation, KRED-catalyzed dynamic kinetic resolution, facile SNAr reaction in water. Together, these improvements resulted significantly shorter (9 steps) versus route (16 75% reduction process mass intensity (PMI), while also removing reliance on third-row transition metals toxic solvents.

Language: Английский

Citations

10

Evolution of a Green and Sustainable Manufacturing Process for Belzutifan: Part 2─Development of a Scalable Nickel-Catalyzed Sulfonylation DOI
J. Caleb Hethcox, Jungchul Kim, Heather C. Johnson

et al.

Organic Process Research & Development, Journal Year: 2024, Volume and Issue: 28(2), P. 413 - 421

Published: Jan. 30, 2024

A nickel-catalyzed sulfonylation reaction was discovered and developed into a robust process for the manufacturing of belzutifan, an FDA-approved treatment Von Hippel-Lindau disease-associated renal cell carcinoma. The proceeds via reductive sulfinylation utilizing two insoluble salts (potassium metabisulfite potassium formate), followed by methylation with nontoxic methylating reagent (trimethylphosphate). doubly heterogeneous nature proved difficult to scale due mixing particle size issues. Controlled addition solution formate in ethylene glycol found mitigate all scaling issues, mechanistic studies revealed this be control catalyst speciation. demonstrated on multikilogram kinetics between scales. Reaction discovery, development, multikilogram-scale demonstration, insights are detailed within.

Language: Английский

Citations

7

Evolution of a Green and Sustainable Manufacturing Process for Belzutifan: Part 5─Chemoenzymatic Diastereoselective Fluorination/DKR DOI
Scott D. McCann, Sean Hyun Dubina, Birgit Kosjek

et al.

Organic Process Research & Development, Journal Year: 2024, Volume and Issue: 28(2), P. 441 - 450

Published: Feb. 7, 2024

A ketone fluorination/reduction dynamic kinetic resolution (DKR) was developed for a third-generation synthesis of belzutifan. This new process replaced precious metal catalyst with ketoreductase (KRED) in the DKR. Achieving this one-pot reaction required several rounds enzyme evolution that improved stability presence acetonitrile and methanol. To maintain development progress satisfy program timelines, around reaction, workup, isolation operations performed parallel ongoing modification, as variants were made available. Additionally, opportunities improvements to product quality robustness identified by resolving issues observed piloting experiments.

Language: Английский

Citations

5

Serendipity results as a driving force in the synthesis of EDG-substituted isatins DOI
Sergey V. Ryabukhin, Semen S. Bondarenko,

Anatolii M. Fedorchenko

et al.

Synthesis, Journal Year: 2024, Volume and Issue: 56(22), P. 3431 - 3442

Published: Aug. 7, 2024

Abstract An efficient synthetic procedure for the synthesis of isatins was found after careful analysis serendipitous results unexpected products obtained by aromatic nucleophilic substitution when it attempted to introduce 6-fluoroisatins classic Pfitzinger reaction. Attentive these led elaborating a methodology synthesizing electron-enriched isatins, including those with hydroxy-, alkoxy-, alkylthio-, and dialkylamino-substituted rings. Limitations method were established. The reaction conditions optimized according understanding water’s role. Finally, modified yield expected 2-substituted 7-fluoroquinoline-4-carboxylic acids.

Language: Английский

Citations

0