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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 523753Generated: October 30, 2026

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

https://huagongshe.com/reaction/523753

Reaction equation

Participants

RoleNameHCIDCharge
ReactantWaterHCID 962—
ReactantPhosphorus oxybromideHCID 24613—
Reactant1,4-Dihydroxy-isoquinoline-3-carboxylic acid butyl esterHCID 178450843—
SolventAcetonitrileHCID 6342—
Product1-Bromo-4-hydroxy-isoquinoline-3-carboxylic acid butyl esterHCID 860145413.9%

Reaction Conditions

Temperature80 °C

Reaction Steps

2 g (7.7 mmol) of 1,4-Dihydroxy-isoquinoline-3-carboxylic acid butyl ester (from Example D-20b) dissolved in 100 ml of acetonitrile. 15.4 g (53.6 mmol) of phosphorous oxybromide added to solution and mixture stirred at 80° C. for 64 h. 100 ml of water was added to mixture, and mixture was removed from heat. Mixture was partitioned between ethyl acetate and water. Two phases were separated and the aqueous layer was extracted with ethyl acetate. Organic layers were combined, washed with brine, dried over magnesium sulfate, filtered, and evaporated. Residue was purified by silica gel flash chromatography to give 0.1 g (0.3 mmol) of product. 1H NMR (200 MHz, CDCl3) δ 11.89 (s, 1H), 8.41 (m, 1H), 8.25 (m, 1H), 7.84 (m, 2H), 4.49 (t, J=7.0 Hz, 2H), 1.87 (m, 2H), 1.47 (m, 2H), 1.00 (t, J=7.2 Hz, 3H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09339527B2
Source datasetuspto-grants-2016_05
ORD IDord-36e71ded741441f7b0a3e5ad03a907e4
Source noteuspto-grants-2016_05