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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 325090Generated: October 30, 2026

Water → HCID 22253991, compound

https://huagongshe.com/reaction/325090

Reaction equation

Participants

RoleNameHCIDCharge
ReactantWaterHCID 962—
ReactantBromineHCID 24408—
ReactantHCID 14892863HCID 14892863—
SolventAcetic AcidHCID 176—
ProductHCID 22253991HCID 22253991—

Reaction Steps

7-Fluoro-2,3,4,5-tetrahydro-1-benzothiepin-5-one (1 equivalent) was also dissolved in glacial acetic acid and stirring continued at room temperature. Bromine (2.5 equivalents) was added dropwise and stirring continued at room temperature for 4 hours. Water was added to the reaction mixture was then extracted with 2×25 ml ethyl acetate. The combined ethyl acetate extracts were washed with water, saturated sodium bicarbonate, and water. The combined extract was dried over anhydrous sodium sulfate, filtered, and concentrated in vacuo to give a solid which was recrystallized from the ethyl acetate/hexane 1:1 v/v to afford 4-bromo-7-fluoro-2,3,4,5-tetrahydro-1-benzothiepin-5-one: 1H NMR (CDCl3) δ 7.55 (dd, 1H, J=2.7, 9.0 Hz), 7.44 (dd, 1H, J=8.7, 5.1 Hz), 7.11 (Apparent dt, 1H, J=2.7, 4.8 Hz), 5.34 (dd, 1H, J=5.7, 10.2 Hz), 3.20-2.50 (m, 4H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS06222040B1
Source datasetuspto-grants-2001_04
ORD IDord-af65f5c69efe4e83b31790108b37d0b0
Source noteuspto-grants-2001_04