Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Water → [4-(1,3-Benzoxazol-2-yl)-2-chlorophenyl]acetonitrile
참여 물질
| 역할 | 이름 | HCID | 투입량 |
|---|---|---|---|
| 반응물 | Water | HCID 962 | — |
| 반응물 | Dimethylformamide | HCID 6228 | — |
| 반응물 | Sodium Cyanide | HCID 8929 | — |
| 반응물 | 2-[4-(Bromomethyl)-3-chlorophenyl]-1,3-benzoxazole | HCID 21990985 | — |
| 용매 | Sodium chloride; water | HCID 57417360 | — |
| 생성물 | [4-(1,3-Benzoxazol-2-yl)-2-chlorophenyl]acetonitrile | HCID 10286072 | — |
반응 단계
A slurry of NaCN (435 mg, 8.9 mmol), 2-[4-(bromomethyl)-3-chlorophenyl]-1,3-benzoxazole (940 mg, 2.9 mmol), DMF (30 mL) and H2O (30 mL) was stirred at rt for 12 h. The reaction mixture was poured into brine (250 mL) and filtered. The resultant colorless solid was purified by flash chromatography on silica gel (EtOAc:hexanes 1:9) to afford the desired [4-(1,3-benzoxazol-2-yl)-2-chlorophenyl]acetonitrile as a colorless solid: 1H NMR (CDCl3, 300 MHz) δ 8.32 (s, 1H), 8.19 (dd, 1H), 7.77–7.80 (m, 1H), 7.70 (d, 1H), 7.59–7.61 (m, 1H), 7.38–7.41 (m, 2H), 3.92 (s, 2H). MS (ESI) 269 (M+H)+.
출처 및 근거
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| 특허 번호 | US07087601B2 |
| 출처 데이터셋 | uspto-grants-2006_08 |
| ORD ID | ord-6548a23538894aa79436e59d15d367bc |
| 출처 메모 | uspto-grants-2006_08 |