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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1411332Generated: November 2, 2026

Water → HCID 178502377, compound

https://huagongshe.com/reaction/1411332

Reaction equation

Participants

RoleNameHCIDCharge
ReactantWaterHCID 962—
ReactantDimethylformamideHCID 6228—
ReactantSodium BicarbonateHCID 516892—
Reactant4-(Benzyloxycarbonylamino)phenylboronic Acid (contains varying amounts of Anhydride)HCID 2773322—
ReactantHCID 178502354HCID 178502354—
CatalystPalladium hydroxideHCID 9942167—
CatalystHCID 178418397HCID 178418397—
SolventMethanolHCID 887—
ProductHCID 178502377HCID 17850237738.2%

Reaction Conditions

Temperature90 °C

Reaction Steps

To a mixture of 4-(benzyloxycarbonylamino)phenylboronic acid (1.57 g, 5.79 mmol) and ((S)-1-{(S)-2-[4-(4-bromo-phenyl)-1H-imidazol-2-yl]-pyrrolidine-1-carbonyl}-2-methyl-propyl)-carbamic acid methyl ester (1.74 g, 3.86 mmol) in N,N-dimethylformamide (30 mL, 400 mmol) was added water (21.91 mL, 1216 mmol) and sodium bicarbonate (2.43 g, 28.96 mmol). The resulting mixture was purged with nitrogen. Tetrakis(triphenylphosphine)palladium(0) (468 mg, 0.41 mmol) was added. The reaction mixture was purged with nitrogen and then heated at 90° C. overnight. The reaction mixture was cooled to RT, diluted with methanol (10 mL), then filtered. The filtrate was concentrated and the crude product was purified by preparative HPLC to give a white solid. (1.28 g) The crude material was dissolved in methanol (40 mL) and then pumped through a continuous flow hydrogenator at 70° C. using a palladium hydroxide on carbon (20% w/w) cartridge. The resulting solution was concentrated to ˜10 mL, treated with Stratospheres™ PL-CO3 resin and stirred at room temperature for 30 min. The reaction mixture was filtered and the filtrate was concentrated to give the title compound (680 mg).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08921372B2
Source datasetuspto-grants-2014_12
ORD IDord-ec965dfdc36a4bde8ea0511bdab3817e
Source noteuspto-grants-2014_12