Back
HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1776019Generated: October 30, 2026

Water → HCID 178451921, compound

https://huagongshe.com/reaction/1776019

Reaction equation

Participants

RoleNameHCIDCharge
ReactantWaterHCID 962—
ReactantDimethylformamideHCID 6228—
ReactantSodium BicarbonateHCID 516892—
ReactantHCID 67495117HCID 67495117—
ReactantHCID 178451911HCID 178451911—
CatalystHCID 178418397HCID 178418397—
SolventMethanolHCID 887—
ProductHCID 178451921HCID 17845192110.7%

Reaction Conditions

Temperature90 °C

Reaction Steps

To a mixture of (S)-2-{4-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-1H-imidazol-2-yl}-pyrrolidine-1-carboxylic acid tert-butyl ester (1.40 g, 3.19 mmol) and N-(4-bromo-phenyl)-4-(4-cyclopropanecarbonyl-piperazin-1-yl)-benzamide (0.910 g, 2.12 mmol) in N,N-dimethylformamide (16.53 mL, 213.5 mmol) at RT was added sodium bicarbonate (1.338 g, 15.93 mmol). Water (12.06 mL, 669.2 mmol) was then added. Nitrogen was bubbled through the resulting mixture for 5 min and then tetrakis(triphenylphosphine)palladium(0) (0.258 g, 0.223 mmol) was added. The reaction mixture was heated at 90° C. under nitrogen overnight, cooled to RT, diluted with methanol (30.0 mL), and filtered. The filtrate was concentrated and dissolved in ethyl acetate (˜3 mL) and hexanes (2 mL) was slowly added to give a precipitate of crude product. This material was filtered to provide 150 mg of the product. The filtrate was concentrated and subjected to the same precipitation conditions to provide an additional 50 mg of product. This material was combined with the first precipitation crop and was used without further purification in the next step.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09260414B2
Source datasetuspto-grants-2016_02
ORD IDord-f96bc7e3c9604084a000cc0e9acfff85
Source noteuspto-grants-2016_02