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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2253074Generated: November 1, 2026

Water → 1-Bromo-4-hydroxy-7-phenylsulfanyl-isoquinoline-3-carboxylic acid butyl ester

https://huagongshe.com/reaction/2253074

Reaction equation

Participants

RoleNameHCIDCharge
ReactantWaterHCID 962—
ReactantPhosphorus oxybromideHCID 24613—
ReactantSodium BicarbonateHCID 516892—
ReactantHCID 178450860HCID 178450860—
SolventAcetonitrileHCID 6342—
Product1-Bromo-4-hydroxy-7-phenylsulfanyl-isoquinoline-3-carboxylic acid butyl esterHCID 8659546268.2%

Reaction Steps

To a solution of 4.59 g of phosphorous oxybromide (16 mmol) in 25 ml of anhydrous acetonitrile were added 1.11 g of 1,4-dihydroxy-7-phenylsulfanyl-isoquinoline-3-carboxylic acid butyl ester (3 mmol) and the mixture was refluxed gently with stirring for 1 h. Then 5.04 g of sodium bicarbonate (60 mmol) were added, followed by the dropwise addition of 8 ml of water. After stirring at ambient temperature for 90 min the mixture was concentrated in vacuo to about one third of its volume, 40 ml of water were added and the mixture was extracted with 30 ml of ethyl acetate. The mixture was filtered by suction. The organic phase was separated, dried over MgSO4, and filtered through a pad of silica gel. Evaporation in vacuo gave 0.885 g of the title compound; 1H NMR (CDCl3): δ=11.84 (s, 1H), 8.21 (d, 1H), 7.91 (d, 1H), 7.40 to 7.55 (m, 6H), 4.46 (t, 2H), 1.84 (m, 2H), 1.48 (m, 2H), 0.98 (t, 3H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07323475B2
Source datasetuspto-grants-2008_01
ORD IDord-70b41adb56244f9288e6b4239c09d26f
Source noteuspto-grants-2008_01