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
참여 물질
| 역할 | 이름 | HCID | 투입량 |
|---|
| 반응물 | 2,4,6-Tri-t-butyl-1-bromobenzene | HCID 138089 | — |
| 반응물 | Potassium Fluoride | HCID 522689 | — |
| 반응물 | 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 | HCID 67153418 | — |
| 용매 | Toluene | HCID 1140 | — |
| 생성물 | Racemic 3-{4-[1-(2,4,6-tri-t-butyl-phenoxy)-5,5,5-trifluoro-pentyl]-benzoylamino}-propionic acid methyl ester | HCID 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
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|
| 특허 번호 | US08609892B2 |
|---|
| 출처 데이터셋 | uspto-grants-2013_12 |
|---|
| ORD ID | ord-3e734c59b84a4b5b9fc6b5972c45cde3 |
|---|
| 출처 메모 | uspto-grants-2013_12 |
|---|