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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 876418Generated: October 30, 2026

Water → tert-Butyl 3-fluoro-4-oxoazepane-1-carboxylate

https://huagongshe.com/reaction/876418

Reaction equation

Participants

RoleNameHCIDCharge
ReactantWaterHCID 962—
ReactantLithium ChlorideHCID 433294—
Reactant644982-11-6HCID 67230662—
SolventDimethyl SulfoxideHCID 679—
Producttert-Butyl 3-fluoro-4-oxoazepane-1-carboxylateHCID 5341529421%

Reaction Conditions

Temperature125 °C

Reaction Steps

The product from Step A was dissolved in DMSO (200 mL) and H2O (8.29 g, 460 mmol) followed by addition of LiCl (19.5 g, 460 mmol). The solution was warmed to 125° C. and the mixture was stirred overnight. The mixture was cooled to ambient temperature and partitioned between EtOAc (2.5 L) and water:brine (1:1, 2.0 L). The mixture was filtered through activated charcoal over Celite, which was washed with EtOAc, forming visible layers. The organic layer was dried over Na2SO4, filtered and concentrated. The crude product was purified by column chromatography (10 to 80% EtOAc/hexanes) providing 4.5 g (21%) of the product as a thick pale orange oil.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08987251B2
Source datasetuspto-grants-2015_03
ORD IDord-f927669aee73420db3c90821f3d43d22
Source noteuspto-grants-2015_03