참여 물질
| 역할 | 이름 | HCID | 투입량 |
|---|
| 반응물 | 1-Bromo-4-fluorobenzene | HCID 9993 | — |
| 반응물 | Piperazin-2-one | HCID 231360 | — |
| 시약 | Sodium t-butoxide | HCID 23676156 | — |
| 촉매 | 1,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine) | HCID 636044 | — |
| 촉매 | Palladium (II) acetate | HCID 4144353 | — |
| 용매 | Toluene | HCID 1140 | — |
| 생성물 | 4-(4-Fluorophenyl)piperazin-2-one | HCID 53414991 | 0% |
반응 단계
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.
출처 및 근거
| 출처 데이터셋 | 750 AstraZeneca ELN dataset |
|---|
| ORD ID | ord-cc7dfeae12f6444baf8a8a863fd60e2b |
|---|
| 출처 메모 | 750 AstraZeneca ELN dataset |
|---|