化工社化工社 化学情報印刷レポート · 研究参考用
Cesium fluoride → benzyl 4-(1-(4-(trifluoromethyl)phenyl)-1H-1,2,4-triazol-3-yl)benzylcarbamate
関与物質
| 役割 | 名称 | HCID | 仕込み量 |
|---|---|---|---|
| 反応物 | Cesium fluoride | HCID 25953 | — |
| 反応物 | Tri-tert-butylphosphine tetrafluoroborate | HCID 2734635 | — |
| 反応物 | 3-bromo-1-(4-(trifluoromethyl)phenyl)-1H-1,2,4-triazole | HCID 90404300 | — |
| 反応物 | benzyl N-{[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}carbamate | HCID 90404705 | — |
| 触媒 | palladium(II) acetate | HCID 167845 | — |
| 生成物 | benzyl 4-(1-(4-(trifluoromethyl)phenyl)-1H-1,2,4-triazol-3-yl)benzylcarbamate | HCID 90403882 | — |
反応手順
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]+).
情報源と証拠
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| 特許番号 | US09029560B2 |
| 出典データセット | uspto-grants-2015_05 |
| ORD ID | ord-d9d417e1172045bab6b96d347f04bf64 |
| 出典メモ | uspto-grants-2015_05 |