Methyl iodide → N-((1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((2R,4R)-4-propoxypyrrolidin-2-yl)propan-2-yl)-3-methoxy-5-(2-oxopyrrolidin-1-yl)benzamide
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Methyl iodide | HCID 6328 | — |
| Reactant | Cesium carbonate | HCID 10796 | — |
| Reactant | (2R,4R)-tert-butyl 2-((1S,2S)-1-(tert-butyldimethylsilyloxy)-3-(3,5-difluorophenyl)-2-(3-hydroxy-5-(2-oxopyrrolidin-1-yl)benzamido)propyl)-4-propoxypyrrolidine-1-carboxylate | HCID 59346851 | — |
| Reactant | (2R,4R)-tert-Butyl 2-((1S,2S)-1-(tert-butyldimethylsilyloxy)-3-(3,5-difluorophenyl)-2-(3-methoxy-5-(2-oxopyrrolidin-1-yl)benzamido)propyl)-4-propoxypyrrolidine-1-carboxylate | HCID 67315382 | — |
| Reactant | (2R,4R)-tert-butyl 2-((1S,2S)-1-(tert-butyldimethylsilyloxy)-3-(3,5-difluorophenyl)-2-(3-((R)-2-(methoxymethyl)pyrrolidine-1-carbonyl)-5-(oxazol-2-yl)benzamido)propyl)-4-propoxypyrrolidine-1-carboxylate | HCID 67316383 | — |
| Solvent | Dimethylformamide | HCID 6228 | — |
| Solvent | Ethyl Acetate | HCID 8857 | — |
| Product | N-((1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((2R,4R)-4-propoxypyrrolidin-2-yl)propan-2-yl)-3-methoxy-5-(2-oxopyrrolidin-1-yl)benzamide | HCID 11848636 | — |
Reaction Conditions
| Temperature | 80 °C |
|---|
Reaction Steps
Step 13 (A): (2R,4R)-tert-Butyl 2-((1S,2S)-1-(tert-butyldimethylsilyloxy)-3-(3,5-difluorophenyl)-2-(3-methoxy-5-(2-oxopyrrolidin-1-yl)benzamido)propyl)-4-propoxypyrrolidine-1-carboxylate. To a solution of (2R,4R)-tert-butyl 2-((1S,2S)-1-(tert-butyldimethylsilyloxy)-3-(3,5-difluorophenyl)-2-(3-hydroxy-5-(2-oxopyrrolidin-1-yl)benzamido)propyl)-4-propoxypyrrolidine-1-carboxylate (Preparation I, 27 mg, 0.037 mmol) in DMF (1 mL) were added cesium carbonate (24 mg, 0.074 mmol) and methyl iodide (25 mg, 0.185 mmol) and the reaction mixture was stirred at 80° C. for 3 h, at rt for 3 days and microwaved at 80° C. for 6 h. Ethyl acetate (100 mL) was added and the mixture was washed with H2O and concentrated under vacuum. The crude mixture was purified by silica gel Flash Chromatography (0% to 20% to 40% to 60% EtOAc/Hexane step gradient) to give 20 mg of the title compound: 1H NMR (CDCl3, 500 MHz) δ ppm 0.02 (3H, s), 0.07 (3H, s), 0.85 (9H, s), 0.88 (3H, m), 1.46-1.54 (11H, m), 2.02-2.07 (1H, m), 2.10-2.16 (2H, m), 2.20 (1H, m), 2.59 (2H, m), 2.64 (1H, dd, J=10, 15 Hz), 2.92 (1H, m), 3.28-3.37 (3H, m), 3.76 (1H, dd, J=5, 10 Hz), 3.84 (3H, s), 3.88-3.92 (2H, m), 3.98 (1H, m), 4.04-4.13 (2H, m), 4.58 (1H, m), 6.60 (1H, m), 6.78 (2H, d, J=5 Hz), 7.23 (1H, s), 7.34 (1H, s), 7.80 (1H, s), 8.05 (1H, brd s). MS (ESI) (M+H)+ 746.41.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US07745470B2 |
| Source dataset | uspto-grants-2010_06 |
| ORD ID | ord-ff7730070c4642acb210d6e2b4576c21 |
| Source note | uspto-grants-2010_06 |