HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1520443Generated: October 25, 2026
Triethylamine → Methyl 4-((4S,5R)-3-(2,2-dichloroacetyl)-4-(fluoro-methyl)-2,2-dimethyloxazolidin-5-yl)benzoate
https://huagongshe.com/reaction/1520443
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Triethylamine | HCID 8471 | — |
| Reactant | 1,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine) | HCID 636044 | — |
| Reactant | (4S,5R)-3-(dichloroacetyl)-4-(fluoromethyl)-5-(4-iodophenyl)-2,2-dimethyl-1,3-oxazolidine | HCID 86695394 | — |
| Reactant | HCID 178418416 | HCID 178418416 | — |
| Catalyst | palladium(II) acetate | HCID 167845 | — |
| Solvent | Methanol | HCID 887 | — |
| Solvent | Water | HCID 962 | — |
| Product | Methyl 4-((4S,5R)-3-(2,2-dichloroacetyl)-4-(fluoro-methyl)-2,2-dimethyloxazolidin-5-yl)benzoate | HCID 86695393 | — |
Reaction Steps
To a flask containing 2,2-dichloro-1-((4S,5R)-4-(fluoromethyl)-5-(4-iodophenyl)-2,2-dimethyloxazolidin-3-yl)ethanone (2.0 g, 4.48 mmol) is added triethylamine (5 mL) and methanol (5 mL). Carbon monoxide gas is bubbled through the solution while stirring for 30 min. Pd(OAc)2 (51 mg, 0.22 mmol) and Xantphos (132 mg, 0.22 mmol) are next added and a balloon containing carbon monoxide is secured to the flask outlet. The reaction is heated for 2 hours at 60° C. and then cooled to room temperature. Next, the reaction is diluted with water, extracted with ethylacetate, dried over Na2SO4, and concentrated under vacuum. The residue is chromatographed on silica gel eluting from 100% hexanes to 50:50 ethylacetate:hexanes to afford the title compound (1.11 g): 1H NMR (400 MHz, CDCl3) 8.10 (d, 2H, J=8.0 Hz), 7.55 (d, 2H, J=8.0 Hz), 6.34 (m, 1H), 5.30-4.42 (m, 4H), 3.95 (s, 3H), 1.97-1.53 (m, 6H). m/z (Cl) 320 [M-(CH3)2CO].
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US09073894B2 |
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| Source dataset | uspto-grants-2015_07 |
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| ORD ID | ord-03f09088902246cbabd675d6e34af7eb |
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| Source note | uspto-grants-2015_07 |
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