化工社化工社 化学情報印刷レポート · 研究参考用
5-Bromonicotinonitrile → 5-(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]oxazin-6-yl)-nicotinonitrile
関与物質
| 役割 | 名称 | HCID | 仕込み量 |
|---|---|---|---|
| 反応物 | 5-Bromonicotinonitrile | HCID 736793 | — |
| 反応物 | (4,4-Dimethyl-2-oxo-1,4-dihydro-2H-3,1-benzoxazin-6-yl)boronic acid | HCID 10987806 | — |
| 溶媒 | Water | HCID 962 | — |
| 生成物 | 5-(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]oxazin-6-yl)-nicotinonitrile | HCID 9943558 | — |
反応手順
Prepared from (1,4-dihydro-4,4-dimethyl-2-oxo-2H-3,1-benzoxazin-6-yl) boronic acid and 3-bromo-5-cyanopyridine according to Procedure B. Off-white solid: mp 290-291° C.; 1H-NMR (DMSO-d6) δ 10.41 (s, 1H, D2O exchangeable), 9.21 (d, 1H, J=2.2 Hz), 8.97 (d, 1H, J=1.7 Hz), 8.68 (t, 1H, J=2.1 Hz), 7.76 (m, 2H), 7.01 (d, 1H, J=8.2 Hz), 1.70 (s, 6H); MS (ESI) m/z 278(M−H, 96%). Anal. Calc. For C16H13N3O2.0.2 H2O: C, 67.94; H, 4.77; N, 14.85. Found: C, 68.04; H, 4.70; N, 14.58.
情報源と証拠
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| 特許番号 | US07488822B2 |
| 出典データセット | uspto-grants-2009_02 |
| ORD ID | ord-f03fe6cbd8434b878ca4300254d14f91 |
| 出典メモ | uspto-grants-2009_02 |