Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Morpholine | HCID 8083 | — |
| Reactant | Cesium carbonate | HCID 10796 | — |
| Reactant | 2-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenyl | HCID 11155794 | — |
| Reactant | 8-Bromo-2,3,4,5-tetrahydro-1H-benzo[b]azepine | HCID 16244474 | — |
| Catalyst | palladium(II) acetate | HCID 167845 | — |
| Solvent | Toluene | HCID 1140 | — |
| Product | 8-Morpholinobenzazepine | HCID 66963899 | 94.2% |
Reaction Steps
To a solution of the 8-bromotetrahydrobenzazepine (72 mg, 0.186 mmol) from step G above in toluene (2 mL) was added morpholine (33 mg, 0.372 mmol), cesium carbonate (182 mg, 0.558 mmol), and 2-(dicyclohexylphosphino)-2′,4′,6′-tri-i-propyl-1,1′-biphenyl (18 mg, 0.037 mmol). The resultant mixture was degassed with argon for 5 minutes, and then added palladium(II) acetate (5 mg, 0.019 mmol). The reaction solution was heated at reflux under argon for 2 hours, and then cooled to room temperature. The resultant mixture was partitioned between ethyl acetate and water. The combined organic extracts were washed with brine, dried over sodium sulfate and concentrated under reduced pressure. The crude product obtained was purified by flash column chromatography [3% to 5% methanol (containing 10% concentrated ammonium hydroxide)/dichloromethane] to give the 8-morpholinobenzazepine (40 mg, 55%): 1H NMR (CDCl3, 500 MHz) δ 6.72 (d, J=2.5 Hz, 1H), 6.65-6.59 (m, 5H), 4.31 (t, J=4.4 Hz, 2H), 4.11 (d, J=8.8 Hz, 1H), 3.85-3.83 (m, 5H), 3.69 (d, J=13.8 Hz, 1H), 3.25 (t, J=4.4 Hz, 2H), 3.12-3.08 (m, 5H), 2.93-2.90 (m, 1H), 2.88 (s, 3H), 2.33 (s, 3H), 2.24-2.17 (m, 1H), 2.07 (br, 1H); ESI MS m/z 394 [M+H]+.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08791101B2 |
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| Source dataset | uspto-grants-2014_07 |
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| ORD ID | ord-f12765548044457e92d428eea7bfff77 |
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| Source note | uspto-grants-2014_07 |
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