化工社化工社 化学情報印刷レポート · 研究参考用
2-Fluorophenyl isocyanate → (R)-Methyl 2-(3-(4-(3-(2-fluorophenyl)ureido)phenyl)isoxazole-5-carbothioamido)-3-methylbutanoate
関与物質
| 役割 | 名称 | HCID | 仕込み量 |
|---|---|---|---|
| 反応物 | 2-Fluorophenyl isocyanate | HCID 85588 | — |
| 反応物 | (R)-methyl 2-(3-(4-aminophenyl)isoxazole-5-carbothioamido)-3-methylbutanoate | HCID 86656494 | — |
| 生成物 | (R)-Methyl 2-(3-(4-(3-(2-fluorophenyl)ureido)phenyl)isoxazole-5-carbothioamido)-3-methylbutanoate | HCID 86656493 | 65% |
反応手順
The title compound was prepared according to the procedure as set forth in example 151, except that 1-fluoro-2-isocyanatobenzene was used in place of 1-fluoro-3-isocyanatobenzene and (R)-methyl 2-(3-(4-aminophenyl)isoxazole-5-carbothioamido)-3-methylbutanoate was used in place of methyl 2-(3-(4-aminophenyl)isoxazole-5-carboxamido)-3-methylbutanoate to yield 65% of the title compound. MS (ESI): m/z 471(M+H)+; 1HNMR (DMSO-d6, 300 MHz): δ 10.935 (s, 1H), 9.355 (s, 1H), 8.640 (s, 1H), 8.161 (s, 1H), 7.891 (s, 2H), 7.634 (d, 3H), 7.256 (s, 1H), 7.162 (s, 1H), 7.038 (s, 1H), 4.835 (s, 1H), 3.689 (s, 3H), 2.507 (s, 1H), 1.049 (d, 6H).
情報源と証拠
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| 特許番号 | US08835428B2 |
| 出典データセット | uspto-grants-2014_09 |
| ORD ID | ord-6bbc4cd33b7847a7ae9bf74ad4c19811 |
| 出典メモ | uspto-grants-2014_09 |