HuagongsheHuagongshe Chemistry Print Report · For research reference only
Water → Vemurafenib
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Water | HCID 962 | — |
| Reactant | 2,3-Dichloro-5,6-dicyano-1,4-benzoquinone | HCID 6775 | — |
| Reactant | HCID 58087879 | HCID 58087879 | — |
| Solvent | 1,4-Dioxane | HCID 31275 | — |
| Product | Vemurafenib | HCID 42611257 | 50% |
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
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08143271B2 |
| Source dataset | uspto-grants-2012_03 |
| ORD ID | ord-8d26021542d44882b6439e93432e0af3 |
| Source note | uspto-grants-2012_03 |