참여 물질
| 역할 | 이름 | HCID | 투입량 |
|---|
| 반응물 | 1-Bromo-4-fluorobenzene | HCID 9993 | — |
| 반응물 | 1-Benzylpiperazine | HCID 75994 | — |
| 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 | 1-Benzyl-4-(4-fluorophenyl)piperazine | HCID 763199 | 74.98% |
반응 단계
diacetoxypalladium (12.74 mg, 0.06 mmol) and (9,9-dimethyl-9H-xanthene-4,5-diyl)bis(diphenylphosphine) (32.8 mg, 0.06 mmol) were suspended in toluene (0.5 mL) under N2. Heated to 50C for 30 min (microwave). sodium 2-methylpropan-2-olate (109 mg, 1.13 mmol) was suspended in toluene (0.500 mL) under N2. 1-benzylpiperazine (0.099 mL, 0.57 mmol) and 1-bromo-4-fluorobenzene (0.093 mL, 0.85 mmol) were added, followed by the catalyst solution. Heated to 100C for 2h in the microwave (high abs), then rt over night. The product was purified on silica (0-25% EtOAc/heptane) Yield: 1-benzyl-4-(4-fluorophenyl)piperazine (115 mg, 75.0 %)
출처 및 근거
| 출처 데이터셋 | 750 AstraZeneca ELN dataset |
|---|
| ORD ID | ord-8809d217cb404d41bb5809dd5f95b269 |
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| 출처 메모 | 750 AstraZeneca ELN dataset |
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