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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1966410Generated: October 31, 2026

1,4-Dioxane → 2-[5-Fluoro-1-[(2-fluorophenyl)methyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-nitro-4,6-pyrimidinediamine

https://huagongshe.com/reaction/1966410

Reaction equation

Participants

RoleNameHCIDCharge
Reactant1,4-DioxaneHCID 31275—
ReactantHexabutyldistannaneHCID 6327815—
Reactant5-Fluoro-1-(2-fluorobenzyl)-3-iodo-1H-pyrazolo[3,4-b]pyridineHCID 58065602—
ReactantHCID 59177864HCID 59177864—
CatalystHCID 178418397HCID 178418397—
SolventWaterHCID 962—
Product2-[5-Fluoro-1-[(2-fluorophenyl)methyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-nitro-4,6-pyrimidinediamineHCID 58065601—

Reaction Steps

Under argon, 860 mg (2.32 mmol) of the compound from Example 6A were introduced into 1,4-dioxane (86 ml), and the reaction mixture was flushed with argon for 10 min. Then 3.51 ml (6.95 mmol) of hexabutylditin and 483 mg (2.55 mmol) of 2-chloro-5-nitropyrimidine-4,6-diamine (prepared by the method of Helvetica Chimica Acta (1951), 34, 835-40) were added. Subsequently 860 mg (0.744 mmol) of tetrakis(triphenylphosphine)palladium(0) were added and the reaction mixture was heated at reflux overnight. The mixture was then cooled to RT, water was added and the mixture was extracted twice with ethyl acetate. The collected organic phases were dried over sodium sulphate, filtered and concentrated. The residue was subjected to extractive stirring in ethyl acetate, and the solid was isolated by filtration and dried under high vacuum. This gave 355 mg (62% purity, 24% of theory) of the desired compound. The crude product was reacted without further purification.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08420656B2
Source datasetuspto-grants-2013_04
ORD IDord-3d8c62934a29412eb09149d0de6c5e92
Source noteuspto-grants-2013_04