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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1878674Generated: November 1, 2026

Isopropanol → HCID 86621435, compound

https://huagongshe.com/reaction/1878674

Reaction equation

Participants

RoleNameHCIDCharge
ReactantIsopropanolHCID 3776—
ReactantSodium CarbonateHCID 10340—
Reactant4,6-DichloropyrimidineHCID 70943—
Reactant4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-1-trityl-1H-pyrazoleHCID 45789683—
CatalystHCID 178418476HCID 178418476—
SolventWaterHCID 962—
ProductHCID 86621435HCID 86621435—

Reaction Conditions

Temperature108 °C

Reaction Steps

In a microwave reaction tube were combined 4,6-dichloropyrimidine (480 mg, 3.22 mmol), 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-trityl-1H-pyrazole (1.28 g, 2.93 mmol; JP 2005232071), bis(triphenylphosphine)-palladium(II) chloride (82 mg, 0.117 mmol), sodium carbonate (776 mg, 7.32 mmol), followed by the solvents 2-propanol (9.0 mL) and water (3.0 mL). The tube was sealed, and the reaction was heated to 108° C. for 30 minutes in the microwave reactor. After cooling to room temperature, the mixture was partitioned between ethyl acetate (2×100 mL) and water (200 mL). The combined organic extracts were washed with brine, dried (sodium sulfate) and concentrated under reduced pressure, and the resulting material was purified by silica gel flash column chromatography to afford the titled compound: 1H NMR (300 MHz, methanol-D4) δ ppm 7.11-7.22 (m, 6H), 7.28-7.41 (m, 9H), 7.81-7.83 (m, 1H), 8.23-8.26 (m, 1H), 8.30 (s, 1H), 8.75-8.78 (m, 1H). MS (DCI/NH3) m/z=423 (M+H)+.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08314119B2
Source datasetuspto-grants-2012_11
ORD IDord-e4f564e08c0149ac98f646a19bb4a008
Source noteuspto-grants-2012_11