化工社化工社 化学情報印刷レポート · 研究参考用
4-Cyanobenzoyl isocyanate → t-butyl (2S)-2-(n-butylsulphonylamino)-3-[4-[3-(4-cyanobenzoyl)ureido]phenyl]propionate
関与物質
| 役割 | 名称 | HCID | 仕込み量 |
|---|---|---|---|
| 反応物 | 4-Cyanobenzoyl isocyanate | HCID 14913739 | — |
| 反応物 | t-butyl (2S)-2-(n-butylsulphonylamino)-3-(4-aminophenyl)propionate | HCID 57133224 | — |
| 溶媒 | Acetonitrile | HCID 6342 | — |
| 生成物 | t-butyl (2S)-2-(n-butylsulphonylamino)-3-[4-[3-(4-cyanobenzoyl)ureido]phenyl]propionate | HCID 86749999 | 60.4% |
反応手順
In a similar manner to Example 1, starting material step (c), the product of step (c) (2.59 g) and 4-cyanobenzoyl isocyanate (1.29 g) in acetonitrile (100 ml total) were reacted to give, after stirring at ambient temperature for 1 hour and storage at 10° C. overnight, a solid, which was crystallised from isopropanol to give t-butyl (2S)-2-(n-butylsulphonylamino)-3-[4-[3-(4-cyanobenzoyl)ureido]phenyl]propionate (2.32 g) as a white solid: m.p. 171°-173° C.; NMR Spectrum (CDCl3) 0.90 (3H, t), 1.37 (2H, m), 1.49 (9H, s), 1.73 (2H, m), 2.90 (2H, t), 3.11 (2H, m), 4.31 (1H, m), 5.61 (1H, d), 7.19 (2H, d), 7.42 (2H, d), 7.83 (2H, d), 8.19 (2H, d), 9.92 (1H, br s), 10.78 (1H, br s); Mass Spectrum m/Z 529 (M+H)+.
情報源と証拠
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| 特許番号 | US05576334 |
| 出典データセット | uspto-grants-1996_11 |
| ORD ID | ord-f372551bc93d4831ab3e78803fe3dce7 |
| 出典メモ | uspto-grants-1996_11 |