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Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 573942생성일: 2026년 10월 27일

Cesium carbonate → (1Z)-1-[3-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1,3-thiazinan-2-ylidene]-3-[2-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]ethyl]urea

https://huagongshe.com/reaction/573942

반응식

참여 물질

역할이름HCID투입량
반응물Cesium carbonateHCID 10796—
반응물Acryloyl chlorideHCID 13140—
반응물1-(2-Isopropyl-5-methylphenyl)thioureaHCID 89373168—
반응물3-(4-(2-Isocyanatoethyl)phenyl)-1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazoleHCID 90404408—
용매AcetonitrileHCID 6342—
용매Ethyl AcetateHCID 8857—
생성물(1Z)-1-[3-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1,3-thiazinan-2-ylidene]-3-[2-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]ethyl]ureaHCID 9041300544%

반응 조건

온도40 °C

반응 단계

3-(4-(2-Isocyanatoethyl)phenyl)-1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazole (C34a) (0.18 g, 0.47 mmol), 1-(2-isopropyl-5-methylphenyl)thiourea (0.10 g, 0.50 mmol), and cesium carbonate (0.21 g, 0.63 mmol) in acetonitrile (2.3 mL) were stirred at room temperature overnight. The reaction was diluted with ethyl acetate and washed with water. The organic layers were dried over sodium sulfate, filtered, and concentrated. The crude material was dissolved in butanone (2.3 mL) followed by addition of acryloyl chloride (0.045 mL, 0.55 mmol). The reaction was heated at 40° C. for 4 hours. The reaction was cooled and concentrated. Purification by flash column chromatography using 0-100% ethyl acetate/B, where B=1:1 dichloromethane/hexanes, as eluent followed by drying in a vacuum oven provided the title compound as a yellow oil (0.13 g, 44%).

출처 및 근거

DOI10.6084/m9.figshare.5104873.v1
특허 번호US09029560B2
출처 데이터셋uspto-grants-2015_05
ORD IDord-be6bc7be184441d4912e72d4413aabbe
출처 메모uspto-grants-2015_05