Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2-Fluoro-4-nitroanisole → 1-Fluoro-4-(isocyanomethyl)-2-methoxy-5-nitrobenzene
참여 물질
| 역할 | 이름 | HCID | 투입량 |
|---|---|---|---|
| 반응물 | 2-Fluoro-4-nitroanisole | HCID 223104 | — |
| 반응물 | 2-(4-Chlorophenoxy)acetonitrile | HCID 306444 | — |
| 반응물 | Potassium tert-butoxide | HCID 23665647 | — |
| 용매 | Dimethylformamide | HCID 6228 | — |
| 생성물 | 1-Fluoro-4-(isocyanomethyl)-2-methoxy-5-nitrobenzene | HCID 86712619 | 24.4% |
반응 단계
Potassium t-butoxide (15.74 g, 140 mmol) in DMF (50 mL) was added to a solution of 2-fluoro-1-methoxy-4-nitrobenzene (12 g, 70.1 mmol) and 2-(4-chlorophenoxy)acetonitrile (11.75 g, 70.1 mmol) in DMF (100 mL) at −20° C. The reaction mixture was stirred for 1 h and then quenched with water. The aqueous layer was extracted with ethyl acetate. Organic layer was separated, washed with brine, dried over sodium sulphate, filtered and concentrated in vacuo. The crude product was purified by flash chromatography using 3% ethyl acetate in hexane to afford title compound (3.6 g, 23.21%) as a solid. 1H NMR (400 MHz, CDCl3): δ 8.05 (d, J=10.84 Hz, 1H), 7.27-7.23 (m, 1H), 4.28 (s, 2H), 4.05 (s, 3H); ESI-MS m/z=209 (M−H)−; LCMS Purity: 95%
출처 및 근거
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| 특허 번호 | US08859536B2 |
| 출처 데이터셋 | uspto-grants-2014_10 |
| ORD ID | ord-2a6c39433ec14587a303ca18ae2bbd43 |
| 출처 메모 | uspto-grants-2014_10 |