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Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 1914351생성일: 2026년 10월 25일

2,4,6-Tri-t-butyl-1-bromobenzene → Racemic 3-{4-[1-(2,4,6-tri-t-butyl-phenoxy)-5,5,5-trifluoro-pentyl]-benzoylamino}-propionic acid methyl ester

https://huagongshe.com/reaction/1914351

반응식

참여 물질

역할이름HCID투입량
반응물2,4,6-Tri-t-butyl-1-bromobenzeneHCID 138089—
반응물Potassium FluorideHCID 522689—
반응물3-(4-{5,5,5-Trifluoro-1-[4-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)-phenoxy]-pentyl}-benzoylamino)-propionic acid methyl esterHCID 67153418—
용매TolueneHCID 1140—
생성물Racemic 3-{4-[1-(2,4,6-tri-t-butyl-phenoxy)-5,5,5-trifluoro-pentyl]-benzoylamino}-propionic acid methyl esterHCID 67153635—

반응 단계

To a solution of racemic 3-(4-{5,5,5-Trifluoro-1-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenoxy]-pentyl}-benzoylamino)-propionic acid methyl ester (0.300 g, 0.550 mmol) in toluene (3.0 mL) is added palladium tetrakis triphenylphosphine (0.0316 g, 0.030 mmol), 2-bromo-1,3,5-tri-tert-butyl-benzene (0.353 g, 1.09 mmol), and potassium fluoride (0.063 g, 1.09 mmol). The reaction is purged with nitrogen three times and heated to reflux under nitrogen. At reflux, water (1.0 mL) is added to the reaction and the reaction is allowed to reflux under nitrogen. The reaction is monitored by HPLC, and upon completion, allowed to cool to room temperature. The reaction is diluted with ethyl acetate and celite is added, followed by water. This mixture is then filtered through a pad of celite. The solution is poured into a separatory funnel and the organic layer is washed with water and brine. The organic layer is dried over anhydrous sodium sulfate and concentrated. The product is purified by flash column chromatography (0.333 g, 0.500 mmol).

출처 및 근거

DOI10.6084/m9.figshare.5104873.v1
특허 번호US08609892B2
출처 데이터셋uspto-grants-2013_12
ORD IDord-3e734c59b84a4b5b9fc6b5972c45cde3
출처 메모uspto-grants-2013_12