참여 물질
| 역할 | 이름 | HCID | 투입량 |
|---|
| 반응물 | 3-Iodobenzyloxybenzene | HCID 4228019 | — |
| 반응물 | 2-Methyl-6-(trifluoromethoxy)-1H-indole | HCID 12180669 | — |
| 시약 | Sodium t-butoxide | HCID 23676156 | — |
| 촉매 | 2-(Di-tert-butylphosphino)biphenyl | HCID 2734215 | — |
| 촉매 | Bis(dibenzylideneacetone)palladium | HCID 9811564 | — |
| 용매 | Toluene | HCID 1140 | — |
| 생성물 | 2-Methyl-1-(3-phenylmethoxyphenyl)-6-(trifluoromethoxy)indole | HCID 59216720 | 10.45% |
반응 단계
EN04773-52, _Buchwald coupling, toluene and iodide_ The indole from 4773-25, 1-(benzyloxy)-3-iodobenzene,Pd2(dba)3, JohnPhos and KOtBu were dissolved in toluene. The mixture was warmed at 120 °C for 1h and 50% conversion was observed on NMR*(see attached NMR). The mixture was warmed further 15h at 120°C, still starting material left but the reaction mixture was directly applied to a silica column (heptane 3:1). Product was collected in fraction 22-23 (see attached NMR). Only 19.3 mg (10.45% yield) could be collected but NMR showed correct product. Test reaction with bromide was performed in 4773-53. ######################### *Small amount from reaction mixture was dissolved in CDCl3 and 1HNMR analysis was performed)
출처 및 근거
| 출처 데이터셋 | 750 AstraZeneca ELN dataset |
|---|
| ORD ID | ord-055c0d9926684c29963cad751105f26e |
|---|
| 출처 메모 | 750 AstraZeneca ELN dataset |
|---|