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Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 633생성일: 2026년 10월 23일

N-Ethylaniline → 5-bromo-N-ethyl-4-methoxy-N-phenylpyrimidin-2-amine

https://huagongshe.com/ko/reaction/633

반응식

참여 물질

역할이름HCID투입량
반응물N-EthylanilineHCID 7670—
반응물5-Bromo-2-iodo-4-methoxypyrimidineHCID 84819520—
시약Sodium 2-methylbutan-2-olateHCID 2733478—
촉매1,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)HCID 636044—
촉매Palladium (II) acetateHCID 4144353—
용매TolueneHCID 1140—
생성물5-bromo-N-ethyl-4-methoxy-N-phenylpyrimidin-2-amineHCID 10699869370.78%

반응 조건

온도100 °C

반응 단계

5-bromo-2-iodo-4-methoxypyrimidine (0.086 g, 0.27 mmol), diacetoxypalladium (2.78 mg, 0.01 mmol), (9,9-dimethyl-9H-xanthene-4,5-diyl)bis(diphenylphosphine) - XantPhos (7.16 mg, 0.01 mmol) and sodium 2-methylbutan-2-olate (0.055 g, 0.50 mmol) and di((3S,5S,7S)-adamantan-1-yl)(butyl)phosphine (8.88 mg, 0.02 mmol) were added to a micro vial. Then N-ethylaniline (0.031 mL, 0.25 mmol) in toluene (1.5 mL) was added to the reaction mixture. The vial was sealed and evacuated and flushed with nitrogen and then stirred at 100°C o/n. LC/MS showed product formation. The reaction mixture was cooled to rt and then filtered over celite. The crude product was diluted with 25 ml of DCM and then washed with sat. NaHCO3 followed by brine. The organic phase was dried over a phase separator and then concentrated to dryness. **No LC/MS data due to database failure over three months and was only saved locally on LC/MS computer and pdf-files seems to be deleted on machine. Not used in further reactions.**

출처 및 근거

출처 데이터셋750 AstraZeneca ELN dataset
ORD IDord-3df00475fe9d41898bd3503e3b2ed03d
출처 메모750 AstraZeneca ELN dataset