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4-Methylphenyl isocyanate → (R)-Methyl 3-methyl-2-(3-(4-(3-p-tolylureido)phenyl)isoxazole-5-carbothioamido)butanoate
関与物質
| 役割 | 名称 | HCID | 仕込み量 |
|---|---|---|---|
| 反応物 | 4-Methylphenyl isocyanate | HCID 69325 | — |
| 反応物 | (R)-methyl 2-(3-(4-aminophenyl)isoxazole-5-carbothioamido)-3-methylbutanoate | HCID 86656494 | — |
| 生成物 | (R)-Methyl 3-methyl-2-(3-(4-(3-p-tolylureido)phenyl)isoxazole-5-carbothioamido)butanoate | HCID 86656495 | 65% |
反応手順
The title compound was prepared according to the procedure as set, forth in example 151, except that 1-isocyanato-4-methylbenzene 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 467(M+H); 1HNMR (DMSO-d6, 300 MHz): δ 10.924 (d, 1H), 8.902 (s, 1H), 8.630 (s, 1H), 7.865 (d, 2H), 7.607(d, 3H), 7.351(d, 2H), 7.094(d, 2H), 4.810 (s, 1H), 3.665(s, 3H), 2.489 (m, 1H), 2.367(s, 3H), 1.033(m, 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-e6f371e78ff9467da4f0df807871d59f |
| 出典メモ | uspto-grants-2014_09 |