関与物質
| 役割 | 名称 | HCID | 仕込み量 |
|---|
| 反応物 | Hydrochloric Acid | HCID 313 | — |
| 反応物 | Ethyl Acetate | HCID 8857 | — |
| 反応物 | Methyl 3-bromobenzoate | HCID 12070 | — |
| 反応物 | (Trifluoromethyl)trimethylsilane | HCID 552549 | — |
| 触媒 | Tetrabutylammonium Fluoride | HCID 2724141 | — |
| 溶媒 | Toluene | HCID 1140 | — |
| 生成物 | 3'-Bromo-2,2,2-trifluoroacetophenone | HCID 14647442 | 65% |
反応手順
In a dry round bottom flask, 3-bromo-benzoic acid methyl ester (2 g, 9.3 mmol, Aldrich Chemical Company) and trimethyl(trifluoromethyl)silane (1.72 mL, 11.6 mmol, Aldrich Chemical Company) were dissolved in dry toluene (50 mL). Upon cooling the solution to −78° C., TBAF (232 μL, 0.23 mmol) was added and the reaction was allowed to warm up slowly to rt overnight. After stirring for 20 hr, 2N HCl (50 mL) and EtOAc (100 mL) were added, the layers were separated, and the aqueous layer was extracted with another portion of EtOAc. The combined organic fractions were dried (MgSO4), concentrated in vacuo, and resulting crude oil was purified using SiO2 flash chromatography (elution: 5–20% EtOAc in hexanes) to give 1.5 g (65%) the title compound as a light yellow oil. 1H-NMR (CDCl3; 400 MHz) δ 8.18 (br s, 1H), 7.98–8.00 (m, 1H), 7.82–7.85 (m, 1H), 7.42–7.46 (m, 1H). 19F-NMR (CDCl3; 400 MHz) δ −72.06 (s).
情報源と証拠
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| 特許番号 | US07109354B2 |
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| 出典データセット | uspto-grants-2006_09 |
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| ORD ID | ord-54535bf4a30949a990e50a5e58abae5a |
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| 出典メモ | uspto-grants-2006_09 |
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