Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 12생성일: 2026년 10월 23일
3-methoxy-4-(4-methyl-1H-imidazol-1-yl)aniline → N-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)-4-methyl-2-(pyridin-3-yl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-8-amine
https://huagongshe.com/ko/reaction/12
참여 물질
| 역할 | 이름 | HCID | 투입량 |
|---|
| 반응물 | 3-methoxy-4-(4-methyl-1H-imidazol-1-yl)aniline | HCID 45480181 | — |
| 반응물 | 8-Chloro-4-methyl-2-(pyridin-3-yl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine | HCID 59577812 | — |
| 시약 | Cesium carbonate | HCID 10796 | — |
| 촉매 | 2-(Dicyclohexylphosphino)biphenyl | HCID 2734216 | — |
| 촉매 | Palladium (II) acetate | HCID 4144353 | — |
| 용매 | 1,2-Dimethoxyethane | HCID 8071 | — |
| 생성물 | N-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)-4-methyl-2-(pyridin-3-yl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-8-amine | HCID 49821014 | 27.8% |
반응 단계
[Reactants], Palladium(II) acetate (5.29 mg, 0.02 mmol), 2-(Dicyclohexylphosphino)biphenyl (8.26 mg, 0.02 mmol) and Cesium carbonate (0.230 g, 0.71 mmol) were placed in a microwave vial and flushed with argon. DME (2 mL) was added and the reaction mixture was run in the microwave at 100°C for 60 minutes. Reaction not complete. Added 0.1 eq of Palladium(II) acetate (5.29 mg, 0.02 mmol) and 0.1 eq of 2-(Dicyclohexylphosphino)biphenyl (8.26 mg, 0.02 mmol) and flushed with argon. Run in the microwave at 100°C for 60 minutes and the reaction was complete. The reaction mixture was filtrated through celite and concentrated. The crude product was purified by prep-HPLC. The solvent was evaporated and partitioned between sat. NaHCO3 and dichloromethane. The organic layer was separated, dried (MgSO4) and concentrated giving 0.029 g (28%) of the product.
출처 및 근거
| 출처 데이터셋 | 750 AstraZeneca ELN dataset |
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| ORD ID | ord-373fd601db1247b0b18c34bca387c3a4 |
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| 출처 메모 | 750 AstraZeneca ELN dataset |
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