Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 10생성일: 2026년 10월 23일
4-(1H-imidazol-1-yl)aniline → N-(4-(1H-imidazol-1-yl)phenyl)-4-methyl-2-phenyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-8-amine
https://huagongshe.com/ko/reaction/10
참여 물질
| 역할 | 이름 | HCID | 투입량 |
|---|
| 반응물 | 4-(1H-imidazol-1-yl)aniline | HCID 320165 | — |
| 반응물 | 8-Chloro-4-methyl-2-phenyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine | HCID 59577866 | — |
| 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-(4-(1H-imidazol-1-yl)phenyl)-4-methyl-2-phenyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-8-amine | HCID 49821013 | 41.47% |
반응 단계
[Reactants], 8-chloro-4-methyl-2-phenyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine (0.120 g, 0.44 mmol), Palladium(II) acetate (9.81 mg, 0.04 mmol), 2-(Dicyclohexylphosphino)biphenyl (0.015 g, 0.04 mmol) and Cesium carbonate (0.427 g, 1.31 mmol) in DME (2.5 mL) were placed in a microwave vial and flushed with argon. The reaction mixture was then run in the microwave at 100°C for 1 hr. Reaction not complete. Run for another 30 minutes in the microwave. Still not complete. Added 0.1 eq of Palladium(II)acetate and 0.1 eq of 2-(Dicyclohexylphosphino)biphenyl and let the reaction mixture run in the microwave for additional 45 minutes. Reaction complete. The reaction mixture was filtrated through celite and the filtrate was concentrated. The crude product was purified by preparative chromatography giving 0.072 g (41%) of the product. N-(4-(1H-imidazol-1-yl)phenyl)-4-methyl-2-phenyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-8-amine
출처 및 근거
| 출처 데이터셋 | 750 AstraZeneca ELN dataset |
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| ORD ID | ord-fa122fe6774f45c5b7a107c1460052d3 |
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| 출처 메모 | 750 AstraZeneca ELN dataset |
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