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Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 37999생성일: 2026년 10월 26일

Ethyl Acetate → ethyl 2-amino-8-bromo-3H-benzo[b]azepine-4-carboxylate

https://huagongshe.com/reaction/37999

반응식

참여 물질

역할이름HCID투입량
반응물Ethyl AcetateHCID 8857—
반응물Sodium BicarbonateHCID 516892—
반응물(E)-ethyl 3-(4-bromo-2-nitrophenyl)-2-(cyanomethyl)acrylateHCID 58228520—
촉매IronHCID 23925—
용매Acetic AcidHCID 176—
용매WaterHCID 962—
생성물ethyl 2-amino-8-bromo-3H-benzo[b]azepine-4-carboxylateHCID 5822853591%

반응 조건

온도80 °C

반응 단계

A mixture of (E)-ethyl 3-(4-bromo-2-nitrophenyl)-2-(cyanomethyl)acrylate (20.0 g, 59.0 mmol) in AcOH (380 mL) was heated to 80° C. To this mixture iron (19.8 g, 354 mmol) was added portionwise over 1 h keeping the internal temperature below 100° C. After completion of addition of iron, the reaction mixture was heated for additional 2.5 h at 80-85° C. until the starting material disappeared on HPLC. The reaction mixture was cooled to room temperature and filtered through a GF/F filter packed with Celite rinsing with AcOH. The filtrate was concentrated under reduced pressure to give the crude material which was diluted with water (150 mL). The aqueous mixture was treated with sat'd NaHCO3 (200 mL) until it became basic (pH>8). To the suspension was added additional EtOAc (350 mL). The whole mixture was filtered through a filter packed with Celite. The solids filtered off were diluted with EtOAc (300 mL), stirred for 15 min, and filtered again. This process with the solids filtered off was repeated one more time. All of the organic layers were combined and washed with sat'd aq NaHCO3 (300 mL) followed by brine (300 mL), dried over MgSO4, filtered while rinsing with EtOAc, and concentrated under reduced pressure to give the crude material that was triturated with ether (100 mL) to afford 16.5 g (91%) of (1E,4E)-ethyl 2-amino-8-bromo-3H-benzo[b]azepine-4-carboxylate.

출처 및 근거

DOI10.6084/m9.figshare.5104873.v1
특허 번호US08524702B2
출처 데이터셋uspto-grants-2013_09
ORD IDord-92046ba235eb491880c3304492c923d7
출처 메모uspto-grants-2013_09