HuagongsheHuagongshe Chemistry Print Report · For research reference only
N-((S)-3-{2-ethyl-4-[5-(2-ethylamino-6-methyl-pyrimidin-4-yl)-[1,2,4]oxadiazol-3-yl]-6-methyl-phenoxy}-2-hydroxy-propyl)-2-hydroxy-acetamide → N-((S)-3-{2-Ethyl-4-[5-(2-isobutylamino-6-methyl-pyrimidin-4-yl)-[1,2,4]oxadiazol-3-yl]-6-methyl-phenoxy}-2-hydroxy-propyl)-2-hydroxy-acetamide
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | N-((S)-3-{2-ethyl-4-[5-(2-ethylamino-6-methyl-pyrimidin-4-yl)-[1,2,4]oxadiazol-3-yl]-6-methyl-phenoxy}-2-hydroxy-propyl)-2-hydroxy-acetamide | HCID 42606908 | — |
| Reactant | 2-Isobutylamino-6-methyl-pyrimidine-4-carboxylic acid | HCID 66933418 | — |
| Product | N-((S)-3-{2-Ethyl-4-[5-(2-isobutylamino-6-methyl-pyrimidin-4-yl)-[1,2,4]oxadiazol-3-yl]-6-methyl-phenoxy}-2-hydroxy-propyl)-2-hydroxy-acetamide | HCID 42607021 | — |
Reaction Steps
N—((S)-3-{2-Ethyl-4-[5-(2-isobutylamino-6-methyl-pyrimidin-4-yl)-[1,2,4]oxadiazol-3-yl]-6-methyl-phenoxy}-2-hydroxy-propyl)-2-hydroxy-acetamide is prepared in analogy to N—((S)-3-{2-ethyl-4-[5-(2-ethylamino-6-methyl-pyrimidin-4-yl)-[1,2,4]oxadiazol-3-yl]-6-methyl-phenoxy}-2-hydroxy-propyl)-2-hydroxy-acetamide using 2-isobutylamino-6-methyl-pyrimidine-4-carboxylic acid; LC-MS: tR=0.96 min; [M+H]+=499.25. 1H NMR (D6-DMSO): δ 0.92 (d, J=6.5 Hz, 6H), 1.22 (t, J=7.5 Hz, 3H), 1.91 (m, 1H), 2.35 (s, 3H), 2.41 (s, 3H), 2.73 (q, J=7.5 Hz, 2H), 3.15-3.28 (m, 3H), 3.43 (m, 1H), 3.70-3.80 (m, 2H), 3.84 (d, J=4.8 Hz, 2H), 3.96 (m, 1H), 5.30 (d, J=5.0 Hz, 1H), 5.55 (m, 1H), 7.29 (s, 1H), 7.69 (m, 2H), 7.78 (s, 2H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08299086B2 |
| Source dataset | uspto-grants-2012_10 |
| ORD ID | ord-472693f4c5b24028aa4dceffaaf3ee94 |
| Source note | uspto-grants-2012_10 |