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Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 59859생성일: 2026년 10월 25일

Water → HCID 136413229, 화합물

https://huagongshe.com/reaction/59859

반응식

참여 물질

역할이름HCID투입량
반응물WaterHCID 962—
반응물Potassium CarbonateHCID 11430—
반응물2-Isopropylphenyl isothiocyanateHCID 142052—
반응물3-oxo-N-(4-(1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazol-3-yl)phenyl)-butanamideHCID 86675799—
용매DimethylformamideHCID 6228—
생성물HCID 136413229HCID 13641322948.5%

반응 단계

A portion of the solid from Step 1 (0.50 g, 1.24 mmol) was dissolved in 5 mL of dry N,N-dimethylformamide (DMF) and stirred at ambient temperature while potassium carbonate (0.25 g, 1.81 mmol) and 2-isopropylphenyl isothiocyanate (0.25 g, 1.41 mmol) were added. The solution was stirred for 18 h, then it was poured into 15 mL of water, extracted with ether, and the solvent evaporated. Chromatography of the crude product (0-70% EtOAc-hexanes) gave 350 mg of the title compound as an off-white solid. mp 141-144° C. 1H NMR (400 MHz, CDCl3) δ 15.35-14.58 (m, 1H), 10.93 (s, 1H), 8.57 (m, 3H), 8.31-8.11 (m, 6H), 7.71 (m, 12H), 7.56-7.30 (m, 15H), 5.35 (s, 1H), 3.02 (heptet, J=6.9 Hz, 1H), 2.52 (s, 3H), 1.35-1.11 (m, 6H); ESIMS m/z 582 ([M+H]+).

출처 및 근거

DOI10.6084/m9.figshare.5104873.v1
특허 번호US09440964B2
출처 데이터셋uspto-grants-2016_09
ORD IDord-df36fe8a5ba749379eb9a3c2bd98cf71
출처 메모uspto-grants-2016_09