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
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Water | HCID 962 | — |
| Reactant | Lithium Chloride | HCID 433294 | — |
| Reactant | 644982-11-6 | HCID 67230662 | — |
| Solvent | Dimethyl Sulfoxide | HCID 679 | — |
| Product | tert-Butyl 3-fluoro-4-oxoazepane-1-carboxylate | HCID 53415294 | 21% |
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
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|
| Patent number | US08987251B2 |
|---|
| Source dataset | uspto-grants-2015_03 |
|---|
| ORD ID | ord-f927669aee73420db3c90821f3d43d22 |
|---|
| Source note | uspto-grants-2015_03 |
|---|