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Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 45093생성일: 2026년 10월 25일

Toluene → 5-Methyl-4-oxo-3,4,5,7-tetrahydro-pyrrolo[3,4-d]pyrimidine-6-carboxylic acid tert-butyl ester

https://huagongshe.com/reaction/45093

반응식

참여 물질

역할이름HCID투입량
반응물TolueneHCID 1140—
반응물2-Butenoic acid, ethyl esterHCID 12191—
반응물Sodium hydrideHCID 24758—
반응물Formamidine acetateHCID 160693—
반응물Ethyl 2-(ethoxycarbonylamino)acetateHCID 226277—
반응물Sodium ethoxideHCID 2723922—
용매EthanolHCID 702—
생성물5-Methyl-4-oxo-3,4,5,7-tetrahydro-pyrrolo[3,4-d]pyrimidine-6-carboxylic acid tert-butyl esterHCID 136158783—

반응 단계

To a suspension of NaH (9.72 g, 243 mmol, 60% in mineral oil) in toluene (100 mL), ethoxycarbonylamino-acetic acid ethyl ester (38 g, 187 mmol) is added at 0° C. The reaction is left stirring for 5 h at the same temperature. At that point but-2-enoic acid ethyl ester (25.6 g, 224 mmol) is added and the reaction allowed to warm up to rt and stirred for further 2 h. Ethanol (30 mL) is added and the reaction is then evaporated. The crude 1-tert-butyl 3-ethyl 2-methyl-4-oxopyrrolidine-1,3-dicarboxylate is dissolved in EtOH (1500 mL), then formamidine acetate (343 g, 1189 mmol) is added followed by sodium ethoxide (47.2 g, 694 mmol). The reaction is left stirring at 90° C. for 8 h. The solvent is then removed and to the crude material a saturated solution of NH4Cl (200 mL) is added followed by DCM (1 L). The water layer is extracted two times with DCM. The organics are dried and evaporate. The crude product is separated by FCC (DCM/MeOH 100:0 to 90:10) to give the title compound. MS (ESI) m/z 252.2 (M+1).

출처 및 근거

DOI10.6084/m9.figshare.5104873.v1
특허 번호US08541432B2
출처 데이터셋uspto-grants-2013_09
ORD IDord-bb0e059979604169a0d95b126f391311
출처 메모uspto-grants-2013_09