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Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 1894886생성일: 2026년 10월 26일

Toluene → 6-Chloro-3'-nitro-N-[3-(trifluoromethyl)phenyl]biphenyl-3-carboxamide

https://huagongshe.com/reaction/1894886

반응식

참여 물질

역할이름HCID투입량
반응물TolueneHCID 1140—
반응물Potassium CarbonateHCID 11430—
반응물3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)nitrobenzeneHCID 11265164—
반응물4-chloro-3-iodo-N-[3-(trifluoromethyl)phenyl]benzamideHCID 69044050—
용매EthanolHCID 702—
용매WaterHCID 962—
생성물6-Chloro-3'-nitro-N-[3-(trifluoromethyl)phenyl]biphenyl-3-carboxamideHCID 69272444146.6%

반응 단계

4,4,5,5-Tetramethyl-2-(3-nitrophenyl)-1,3,2-dioxaborolane (0.40 g, 0.0016 mol) was mixed with 4-chloro-3-iodo-N-[3-(trifluoromethyl)phenyl]benzamide (0.600 g, 0.00141 mol), potassium carbonate (0.39 g, 0.0028 mol), toluene (10 mL), ethanol (1.7 mL), and water (1.1 mL). The mixture was degassed by bubbling nitrogen through it. To the reaction was added tetrakis(triphenyl-phosphine)palladium(0) (0.078 g, 0.000068 mol). The reaction was heated to reflux for 16 hours. LCMS showed about 80% conversion to M+H 421/423 (3:1). The reaction was extracted with ethyl acetate and the organic extracts were washed with water, saturated NaCl, then dried (Na2SO4). Solvent was removed under vacuum to give 0.87 g oil. The product was purified by automatic flash chromatography on silica gel. Used a 40 g column; flow 40 mL/min; [A=hexane] [B=EtOAc]. A, 4 min; Gradient to 20% B in 30 min. The product eluted in 23-28 min (starting material at 16-18 min). Removal of solvent under vacuum gave 0.46 g white solid.

출처 및 근거

DOI10.6084/m9.figshare.5104873.v1
특허 번호US08513270B2
출처 데이터셋uspto-grants-2013_08
ORD IDord-1f9ca49d310a4510926f8068215a83fc
출처 메모uspto-grants-2013_08