Back
HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1035385Generated: October 30, 2026

Water → N-Trifluoroacetyl-8-chloro-7-fluoro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine

https://huagongshe.com/reaction/1035385

Reaction equation

Participants

RoleNameHCIDCharge
ReactantWaterHCID 962—
ReactantTrifluoromethanesulfonic acidHCID 62406—
ReactantSelectfluorHCID 2724933—
ReactantN-trifluoroacetyl-8-chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepineHCID 22292806—
Solvent1,2-DichloroethaneHCID 11—
ProductN-Trifluoroacetyl-8-chloro-7-fluoro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepineHCID 2229279860.8%

Reaction Steps

A solution of N-trifluoroacetyl-8-chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine (2.5 g, 8.5 mmol) in 1,2-dichloroethane (15 mL) was treated with Selectfluor (3.9 g, 11 mmol), trifluoromethanesulfonic acid (8 mL, 90 mmol) and stirred 60 hours at 75 C. The product mixture was poured into water (200 mL), extracted with EtOAc (200 mL), the organic phase washed with saturated aqueous NaHCO3 (2×100 mL), brine (100 mL), dried with Na2SO4 and concentrated. The crude product was purified by flash chromatography (6% EtOAc in hexane, silica) resulting in 1.6 g of a white solid. MS calculated for C13H12ClF4NO+H: 310, observed: 310.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08546379B2
Source datasetuspto-grants-2013_10
ORD IDord-f85e2231bf094371b5460b4d6a289e83
Source noteuspto-grants-2013_10