HuagongsheHuagongshe Chemistry Print Report · For research reference only
Methyl valinate hydrochloride → (S)-2-[(3-{4-[3-(4-Fluoro-phenyl)-ureido]-phenyl}-4-phenyl-isoxazole-5-carbonyl)-amino]-3-methyl-butyric acid methyl ester
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Methyl valinate hydrochloride | HCID 111190 | — |
| Reactant | 3-{4-[3-(4-Fluoro-phenyl)-ureido]-phenyl}-4-phenyl-isoxazole-5-carboxylic acid ethyl ester | HCID 67352153 | — |
| Product | (S)-2-[(3-{4-[3-(4-Fluoro-phenyl)-ureido]-phenyl}-4-phenyl-isoxazole-5-carbonyl)-amino]-3-methyl-butyric acid methyl ester | HCID 46181512 | 88.7% |
Reaction Steps
The title compound was prepared from 3-{4-[3-(4-fluoro-phenyl)-ureido]-phenyl}-4-phenyl-isoxazole-5-carboxylic acid ethyl ester and (S)-2-amino-3-methyl-butyric acid methyl ester hydrochloride using the procedure as set forth in Example 5 and was obtained in 88.7% yield. Mass (ES+): 531 (M++1); 1H NMR (DMSO-d6) δ: 0.79 (m, 6H), 2.02 (m, 1H), 3.65 (s, 3H), 4.29 (m, 1H), 7.11 (t, 1H), 7.43-7.47 (m, 2H), 7.52 (m, 3H), 7.55 (d, 2H), 7.67 (d, 2H), 7.81 (m, 2H), 8.74 (s, 1H), 8.93 (s, 1H), 9.25 (d, 1H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08835428B2 |
| Source dataset | uspto-grants-2014_09 |
| ORD ID | ord-ae36ae63f82544c195a56c1069979b3a |
| Source note | uspto-grants-2014_09 |