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2-Fluorophenyl isocyanate → (S)-Methyl 1-(3-(4-(3-(2-fluorophenyl)ureido)phenyl)isoxazole-5-carbonyl)pyrrolidine-2-carboxylate
関与物質
| 役割 | 名称 | HCID | 仕込み量 |
|---|---|---|---|
| 反応物 | 2-Fluorophenyl isocyanate | HCID 85588 | — |
| 反応物 | (S)-methyl 1-(3-(4-aminophenyl)isoxazole-5-carbonyl)pyrrolidine-2-carboxylate | HCID 67355052 | — |
| 生成物 | (S)-Methyl 1-(3-(4-(3-(2-fluorophenyl)ureido)phenyl)isoxazole-5-carbonyl)pyrrolidine-2-carboxylate | HCID 67355879 | 53% |
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 (S)-methyl 1-(3-(4-aminophenyl)isoxazole-5-carbonyl)pyrrolidine-2-carboxylate was used in place of methyl 2-(3-(4-aminophenyl)isoxazole-5-carboxamido)-3-methylbutanoate to yield 53% of the title compound. MS (ES+): m/z 453 (M+1); 1H NMR (DMSO-d6, 300 MHz) δ: 9.35 (s, 1H), 8.65 (s, 1H), 8.15 (m, 1H), 7.92 (d, 2H), 7.66 (s, 1H), 7.6 (d, 2H), 7.26 (m, 1H), 7.16 (m, 1H), 7.04 (m, 1H), 3.92 (t, 1H), 3.67 (s, 3H), 3.65 (m, 1H), 2.29 (m, 1H), 1.97 (m, 2H), 1.24 (m, 2H).
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-9df353068a74406e8ce7559b762309cd |
| 出典メモ | uspto-grants-2014_09 |