HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 896184Generated: October 25, 2026
Acetonitrile → (5R)-3-(2,2-Difluoro-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-2-oxo-5-oxazolidinecarboxylic acid methyl ester
https://huagongshe.com/reaction/896184
Participants
| Role | Name | HCID | Charge |
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| Reactant | Acetonitrile | HCID 6342 | — |
| Reactant | 1,1'-Carbonyldiimidazole | HCID 68263 | — |
| Reactant | Methyl (2R)-2-oxiranecarboxylate | HCID 9877347 | — |
| Reactant | 2,2-difluoro-4-methyl-7-amino-4H-1,4-benzoxazin-3-one | HCID 21877633 | — |
| Reactant | HCID 178506959 | HCID 178506959 | — |
| Solvent | Hydrochloric Acid | HCID 313 | — |
| Product | (5R)-3-(2,2-Difluoro-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-2-oxo-5-oxazolidinecarboxylic acid methyl ester | HCID 68487729 | 77% |
Reaction Steps
To a stirred solution 2,2-difluoro-7-amino-4-methyl-4H-1,4-benzoxazin-3-one (Step 2, 1.05 g, 4.90 mmol) in acetonitrile (25 mL) is added LiOTf (841 mg, 5.39 mmol) followed by methyl-(R)-glycidate (549 mg, 5.39 mmol). The resulting mixture is heated to 50° C. over night at which time HPLC indicates complete consumption of the starting material. The reaction is quenched by addition of water (50 mL), EtOAc (100 mL) and saline (50 mL). The organic phase is separated followed by further extraction of the aqueous phase with EtOAc (20 mL×3). The combined organic phase is dried over Na2SO4, filtered and concentrated under reduced pressure, and the residue is passed through a short silica gel column (EtOAc) to remove the polar impurities from the amino alcohol intermediate (MS (m/z): 317.5 [M+H]+). This intermediate is dissolved in anhydrous acetonitrile (20 mL) followed by addition of CDI (1.58 g, 9.80 mmol, 2 eq. wrt aniline above) at room temperature. The resulting reaction mixture is stirred overnight at which time it is diluted with 0.1 N HCl (10 mL). The resulting pale yellow precipitate is filtered off, washed with additional 0.1 N HCl (25 mL) and water (100 mL) and dried under high vacuum to give the title compound (1.30 g, 77% for two steps), MS (m/z): 342.7 [M+H]+.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US06919329B2 |
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| Source dataset | uspto-grants-2005_07 |
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| ORD ID | ord-b561836fc2d94defa429e5a10ff7e05b |
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| Source note | uspto-grants-2005_07 |
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