Back
HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 132460Generated: October 31, 2026

Water → (S)-2-(4-bromo-1-chloro-8-oxo-9-(2,2,2-trifluoroethyl)-3,6,7,8,9,10-hexahydroazepino[3,4-e]indazol-7-yl)acetic acid

https://huagongshe.com/reaction/132460

Reaction equation

Participants

RoleNameHCIDCharge
ReactantWaterHCID 962—
ReactantLithium hydroxide, monohydrateHCID 168937—
ReactantHCID 178500647HCID 178500647—
SolventMethanolHCID 887—
SolventTetrahydrofuranHCID 8028—
Product(S)-2-(4-bromo-1-chloro-8-oxo-9-(2,2,2-trifluoroethyl)-3,6,7,8,9,10-hexahydroazepino[3,4-e]indazol-7-yl)acetic acidHCID 178525537—

Reaction Conditions

Temperature50 °C

Reaction Steps

(S)-Methyl 2-(4-bromo-1-chloro-8-oxo-9-(2,2,2-trifluoroethyl)-3,6,7,8,9,10-hexahydroazepino[3,4-e]indazol-7-yl)acetate (210 mg, 0.448 mmol) was dissolved in a mixture of tetrahydrofuran (3.0 ml) and methanol (3.0 ml). Water (3.00 ml) was added to the mixture followed by lithium hydroxide hydrate (30 mg, 0.715 mmol). Reaction was warmed to 50° C. and held with stirring for 5 hours. Mixture was cooled to room temperature and allowed to stand for 64 hours. More lithium hydroxide hydrate (24.9 mg, 0.593 mmol) was added to the mixture. Reaction was warned to 50° C. and held for 3 hours. Mixture was cooled to room temperature. Organic solvents were removed from the mixture by roto-vap. Residue was diluted with water. Mixture was neutralized with 1.4 mL 1N hydrochloric acid. Material was extracted twice with ethyl acetate and the aqueous phase was discarded. Organics were dried MgSO4, filtered and then concentrated to dryness. Title compound was obtained as off-white solid in quantitative yield. LCMS (M−H)−=453.9.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07384931B2
Source datasetuspto-grants-2008_06
ORD IDord-231c81879fb94867bb9db98f0cebc450
Source noteuspto-grants-2008_06