HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 92Generated: October 23, 2026
4-Bromo-2-nitroanisole → 1-(7-(4-Methoxy-3-nitrophenyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanone
https://huagongshe.com/en/reaction/92
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | 4-Bromo-2-nitroanisole | HCID 118533 | — |
| Reactant | 1-(9-Oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)ethan-1-one | HCID 68592728 | — |
| Reagent | Sodium t-butoxide | HCID 23676156 | — |
| Catalyst | 1,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine) | HCID 636044 | — |
| Catalyst | Palladium (II) acetate | HCID 4144353 | — |
| Solvent | 1,4-Dioxane | HCID 31275 | — |
| Product | 1-(7-(4-Methoxy-3-nitrophenyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanone | HCID 68592987 | 0% |
Reaction Steps
1-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanone (36.3 mg, 0.21 mmol), 4-bromo-1-methoxy-2-nitrobenzene (45 mg, 0.19 mmol), diacetoxypalladium (3.48 mg, 0.02 mmol), (9,9-dimethyl-9H-xanthene-4,5-diyl)bis(diphenylphosphine) (8.98 mg, 0.02 mmol) and sodium 2-methylpropan-2-olate (28.0 mg, 0.29 mmol) in dioxane (0.5 mL) were degassed with nitrogen and stirred at 110 °C for 4 hours => _some product formed, by-products are major + degradation_ **_ABANDONED_**
Provenance & Evidence
| Source dataset | 750 AstraZeneca ELN dataset |
|---|
| ORD ID | ord-089e5915f1ae4e9e8fd817c5c0f3bd24 |
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| Source note | 750 AstraZeneca ELN dataset |
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