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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 527004Generated: October 31, 2026

HCID 86667430, compound → (1R,3S)-3-(2-chloro-5-fluoropyrimidin-4-ylamino)-1-(methylthiomethyl)cyclohexanol

https://huagongshe.com/reaction/527004

Reaction equation

Participants

RoleNameHCIDCharge
ReactantHCID 86667430HCID 86667430—
ReactantHCID 178504583HCID 178504583—
SolventTetrahydrofuranHCID 8028—
Product(1R,3S)-3-(2-chloro-5-fluoropyrimidin-4-ylamino)-1-(methylthiomethyl)cyclohexanolHCID 86667429—

Reaction Steps

2-chloro-5-fluoro-N-((3R,5S)-1-oxaspiro[2.5]octan-5-yl)pyrimidin-4-amine, 49b, (0.10 g, 0.38 mmol) was dissolved in THF (2 mL). Methylsulfanylsodium (0.08 g, 1.15 mmol) was added to the reaction and the mixture was allowed to stir at room temperature for 3 hrs. An additional 36 mg portion of methylsulfanylsodium in THF (2 mL) was added and the reaction mixture was stirred overnight at room temperature. After LCMS showed starting material was still present, the reaction was warmed to 50° C. and stirred for 1 hr. The reaction was quenched with water and diluted with EtOAc. The layers were separated and the organic phase was washed with brine, dried (MgSO4), filtered and evaporated to dryness. The crude residue was purified via silica gel chromatography (0-100% Etoac/hexanes gradient). The product (contaminated with small amount of staring material) was carried on to the next step without further purification. LCMS RT=3.56 (M+1) 306.2.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09345708B2
Source datasetuspto-grants-2016_05
ORD IDord-b0e6d08b02d049c4bb51c9213c26bd8b
Source noteuspto-grants-2016_05