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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1098463Generated: October 30, 2026

Water → Vemurafenib

https://huagongshe.com/reaction/1098463

Reaction equation

Participants

RoleNameHCIDCharge
ReactantWaterHCID 962—
Reactant2,3-Dichloro-5,6-dicyano-1,4-benzoquinoneHCID 6775—
ReactantHCID 58087879HCID 58087879—
Solvent1,4-DioxaneHCID 31275—
ProductVemurafenibHCID 4261125750%

Reaction Steps

To a solution of 632 (ca. 386 mM) in 1,4-dioxane was added 2,3-dichloro-5,6-dicyanobenzoquinone (83.8 g, 502 mM) followed by water (final 4.8%). The resulting mixture was stirred 2 hours at room temperature and then quenched with one volume of saturated sodium bicarbonate. The mixture was evaporated in vacuo to remove 1,4-dioxane and extracted 3× with ethyl acetate. The combined organic layers were dried over sodium sulfate and evaporated in vacuo to give a crude solid that was purified on a silica-gel column with 94:5:1 dichloromethane/methanol/ammonium hydroxide as eluent to give P-0956 (approximately 50% yield for 3 steps) as a white solid.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08143271B2
Source datasetuspto-grants-2012_03
ORD IDord-8d26021542d44882b6439e93432e0af3
Source noteuspto-grants-2012_03