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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 645789Generated: October 31, 2026

Iodine → 1,1-dimethylethyl 7-hydroxy-8-iodo-1,2,4,5-tetrahydro-3H-3-benzazepine-3-carboxylate

https://huagongshe.com/reaction/645789

Reaction equation

Participants

RoleNameHCIDCharge
ReactantIodineHCID 807—
ReactantSodium IodideHCID 5238—
Reactanttert-butyl 7-hydroxy-2,3,4,5-tetrahydro-1H-3-benzazepine-3-carboxylateHCID 18173274—
SolventEthanolHCID 702—
SolventWaterHCID 962—
SolventMethylamineHCID 6329—
Product1,1-dimethylethyl 7-hydroxy-8-iodo-1,2,4,5-tetrahydro-3H-3-benzazepine-3-carboxylateHCID 59257922—

Reaction Conditions

Temperature0 °C

Reaction Steps

A solution of 7-hydroxy-1,2,4,5-tetrahydro-3H-benzo[d]azepine-3-carboxylic acid tert-butyl ester (PCT Int. Appl. (2002), WO 02/40471) (5.2 g, 20 mmol) in 33% methylamine in ethanol (30 ml) was stirred at 0° C. A solution of sodium iodide (4.6 g, 30 mmol) and iodine (5.2 g, 20 mmol) in water (30 ml) was added below the surface of the reaction mixture. After stirring at 0° C. for 1 hour the mixture was concentrated in vacuo. The residue was diluted with ethyl acetate and water. The organic layer was separated, washed with water and brine. The organic layer was dried over magnesium sulfate, filtered and concentrated in vacuo to afford the title compound (D41); (7.0 g, 90%), 1H NMR (d6-DMSO) 10.0 (1H, br s), 7.41 (1H, s), 6.65 (1H, s), 3.40 (4H, m), 2.70 (4H, m), 1.40 (9H, s).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07704994B2
Source datasetuspto-grants-2010_04
ORD IDord-1f099ac28bff47a4a28f4a773aa2d2f3
Source noteuspto-grants-2010_04