Buchwald–Hartwig amination: 1-Bromo-4-fluorobenzene → 4-(4-Fluorophenyl)piperazin-2-one

Drawn from the record's atom map: which bonds break and which form between the reactants and products the source listed. It shows a change in connectivity, not a simulated trajectory and not a mechanism.

Temperature

150 °C

Only the dimensions the source stated are listed. Anything absent here was not recorded, and it is not inferred from what the class usually needs.

Copied from the source record, unedited

diacetoxypalladium (11.21 mg, 0.05 mmol) and (9,9-dimethyl-9H-xanthene-4,5-diyl)bis(diphenylphosphine) (28.9 mg, 0.05 mmol) were dissolved in toluene (0.5 mL) under nitrogen. Stirred at 50C for 30min. sodium 2-methylpropan-2-olate (96 mg, 1.00 mmol) and piperazin-2-one (50 mg, 0.50 mmol) were added to a second microwave vial and inerted with nitrogen. 1-bromo-4-fluorobenzene (0.055 mL, 0.50 mmol) and toluene (0.500 mL) were added. The catalyst solution wad added to the reaction mixture and the resulting solution was stirred at 100C for 1h in the microwave. No reaction. Then 150C for 1h, still no reaction. The reaction was discarded.

This record comes from experimental reaction archive (ord-cc7dfeae12f6444baf8a8a863fd60e2b). Open the source and check it against what is on this page.

• experimental reaction archive record ord-cc7dfeae12f6444baf8a8a863fd60e2b from dataset "750 AstraZeneca ELN dataset" (url: https://chemrxiv.org/engage/chemrxiv/article-details/60c9e3f37792a23bfdb2d471). No atom mapping is provided by the source.

  experimental record · quality medium · source

experimental reaction record.