참여 물질
| 역할 | 이름 | HCID | 투입량 |
|---|
| 반응물 | Azetidine | HCID 10422 | — |
| 반응물 | Benzonitrile, 4-bromo- | HCID 12162 | — |
| 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-(Azetidin-1-yl)benzonitrile | HCID 70080346 | 61.99% |
반응 단계
4-bromobenzonitrile (1.355 g, 7.44 mmol) and Sodium tert-butoxide (1.073 g, 11.17 mmol) were mixed in toluene (10 mL) and degassed by passing nitrogen for 5 min. Then Azetidine (1 mL, 14.89 mmol), 9,9-Dimethyl-4,5-bis(diphenylphosphino)xanthene (0.172 g, 0.30 mmol) and Palladium(II) acetate (0.050 g, 0.22 mmol)were added and the mixture was heated in oilbath at 100°C for 15h. The reaction was complete by GCMS. Filtration through celite washing with CH2Cl2 and evaporation gave a crude product (1g). Purification by chromatography on silica (0-50 % EtOAc in heptane) gave the desired product 4-(azetidin-1-yl)benzonitrile (0.730 g, 62.0 %).
출처 및 근거
| 출처 데이터셋 | 750 AstraZeneca ELN dataset |
|---|
| ORD ID | ord-23a7de6b0dd840ca8622691442279b4f |
|---|
| 출처 메모 | 750 AstraZeneca ELN dataset |
|---|
