Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 282생성일: 2026년 10월 23일
4-{5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-3-yl}aniline → (R)-2-(8-(4-(6,7-Dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenylamino)-2-phenyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-4(5H)-yl)ethanol
https://huagongshe.com/ko/reaction/282
참여 물질
| 역할 | 이름 | HCID | 투입량 |
|---|
| 반응물 | 4-{5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-3-yl}aniline | HCID 17541514 | — |
| 반응물 | (R)-2-(8-chloro-2-phenyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-4(5H)-yl)ethanol | HCID 59577824 | — |
| 시약 | Cesium carbonate | HCID 10796 | — |
| 촉매 | 2-(Dicyclohexylphosphino)biphenyl | HCID 2734216 | — |
| 촉매 | Palladium (II) acetate | HCID 4144353 | — |
| 용매 | 1,2-Dimethoxyethane | HCID 8071 | — |
| 생성물 | (R)-2-(8-(4-(6,7-Dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenylamino)-2-phenyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-4(5H)-yl)ethanol | HCID 49818785 | 21.14% |
반응 단계
4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)aniline (79 mg, 0.39 mmol), (R)-2-(8-chloro-2-phenyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-4(5H)-yl)ethanol (120 mg, 0.39 mmol) Palladium acetate (8.84 mg, 0.04 mmol), 2-(Dicyclohexylphosphino)biphenyl (13.80 mg, 0.04 mmol)and Cesium carbonate (385 mg, 1.18 mmol) were added to a microwave vial. 1,2-dimethoxyethane (2 mL) and EtOH (0.500 mL) were added. The reaction mixture was flushed with argon and the mixture was run in a microwave for 60 minutes at 100°C. The crude product was taken up in DCM and the solids were thoroughly washed with DCM. The solvents were evaporated and the crude product was purified on Si. 0-20% MeOH in DCM with 2% triethylamine. Yield: (R)-2-(8-(4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenylamino)-2-phenyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-4(5H)-yl)ethanol (39.0 mg, 21.14 %)
출처 및 근거
| 출처 데이터셋 | 750 AstraZeneca ELN dataset |
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| ORD ID | ord-69231428717b458492fb802f1da5509b |
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| 출처 메모 | 750 AstraZeneca ELN dataset |
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