Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Cesium fluoride → benzyl 4-(1-(4-(trifluoromethyl)phenyl)-1H-1,2,4-triazol-3-yl)benzylcarbamate
참여 물질
| 역할 | 이름 | HCID | 투입량 |
|---|---|---|---|
| 반응물 | Cesium fluoride | HCID 25953 | — |
| 반응물 | Tri-tert-butylphosphine tetrafluoroborate | HCID 2734635 | — |
| 반응물 | 3-bromo-1-(4-(trifluoromethyl)phenyl)-1H-1,2,4-triazole | HCID 90404300 | — |
| 반응물 | benzyl N-{[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}carbamate | HCID 90404705 | — |
| 촉매 | palladium(II) acetate | HCID 167845 | — |
| 생성물 | benzyl 4-(1-(4-(trifluoromethyl)phenyl)-1H-1,2,4-triazol-3-yl)benzylcarbamate | HCID 90403882 | — |
반응 단계
The title compound was prepared as described in Example 10 using 3-bromo-1-(4-(trifluoromethyl)phenyl)-1H-1,2,4-triazole (C1b), benzyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzylcarbamate (C13), tri-tert-butylphosphonium tetrafluoroborate, palladium(II) acetate, and cesium fluoride and isolated as a white solid (0.846 g, 36%): 1H NMR (400 MHz, DMSO-d6) δ 9.53 (s, 1H), 8.28-8.14 (m, 2H), 8.16-8.04 (m, 2H), 8.04-7.95 (m, 2H), 7.92 (t, J=6.2 Hz, 1H), 7.49-7.13 (m, 7H), 5.07 (s, 2H), 4.29 (d, J=6.2 Hz, 2H); 19F NMR (376 MHz, DMSO-d6) δ −60.79; ESIMS m/z 453 ([M+H]+).
출처 및 근거
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| 특허 번호 | US09249133B2 |
| 출처 데이터셋 | uspto-grants-2016_02 |
| ORD ID | ord-5076ad1539c84c698b94e8de64ceeb3f |
| 출처 메모 | uspto-grants-2016_02 |