Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 206생성일: 2026년 10월 23일
1-Benzylpiperazine → 8-(4-Benzyl-piperazin-1-yl)-6-methoxy-4-oxo-4H-chromene-2-carboxylic acid ethyl ester
https://huagongshe.com/ko/reaction/206
참여 물질
| 역할 | 이름 | HCID | 투입량 |
|---|
| 반응물 | 1-Benzylpiperazine | HCID 75994 | — |
| 반응물 | ethyl 8-bromo-6-methoxy-4-oxo-4H-chromene-2-carboxylate | HCID 22142256 | — |
| 시약 | Cesium carbonate | HCID 10796 | — |
| 촉매 | Binap, (A+-)- | HCID 634876 | — |
| 촉매 | Bis(dibenzylideneacetone)palladium | HCID 9811564 | — |
| 용매 | Toluene | HCID 1140 | — |
| 생성물 | 8-(4-Benzyl-piperazin-1-yl)-6-methoxy-4-oxo-4H-chromene-2-carboxylic acid ethyl ester | HCID 68974787 | 48.39% |
반응 단계
Tris(dibenzylideneacetone)dipalladium(0) (0.280 g, 0.31 mmol), 2,2'-bis(diphenylphosphino)-1,1'-binaphthyl (0.457 g, 0.73 mmol), ethyl 8-bromo-6-methoxy-4-oxo-4H-chromene-2-carboxylate (2 g, 6.11 mmol), 1-benzylpiperazine (1.169 mL, 6.73 mmol) and cesium carbonate (2.79 g, 8.56 mmol) were heated under argon to 80 °C in toluene (60 mL) overnight. The reaction mixture was allowed to cool. Ethylacetate was added and the organic mixture was filtered. The filtrate was evaporated onto Silica gel. The crude product was added to a silica gel column and was eluted with MeOH/DCM 0-5%. 1H NMR in CDCl3 is consistent with desired product MS (m+1) = 423. HPLC Peak RT = 3.38 minutes is product. Purity = 63%.
출처 및 근거
| 출처 데이터셋 | 750 AstraZeneca ELN dataset |
|---|
| ORD ID | ord-a7f71cce88db46cba0388c01927b5a88 |
|---|
| 출처 메모 | 750 AstraZeneca ELN dataset |
|---|