HuagongsheHuagongshe Chemistry Print Report · For research reference only
Rac-3-{4-[5-(2-ethylamino-6-methyl-pyrimidin-4-yl)-[1,2,4]oxadiazol-3-yl]-2,6-dimethyl-phenoxy}-propane-1,2-diol → Rac-3-{4-[5-(2-isobutylamino-6-methyl-pyrimidin-4-yl)-[1,2,4]oxadiazol-3-yl]-2,6-dimethyl-phenoxy}-propane-1,2-diol
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Rac-3-{4-[5-(2-ethylamino-6-methyl-pyrimidin-4-yl)-[1,2,4]oxadiazol-3-yl]-2,6-dimethyl-phenoxy}-propane-1,2-diol | HCID 25253174 | — |
| Reactant | 2-Isobutylamino-6-methyl-pyrimidine-4-carboxylic acid | HCID 66933418 | — |
| Product | Rac-3-{4-[5-(2-isobutylamino-6-methyl-pyrimidin-4-yl)-[1,2,4]oxadiazol-3-yl]-2,6-dimethyl-phenoxy}-propane-1,2-diol | HCID 42607138 | — |
Reaction Steps
rac-3-{4-[5-(2-Isobutylamino-6-methyl-pyrimidin-4-yl)-[1,2,4]oxadiazol-3-yl]-2,6-dimethyl-phenoxy}-propane-1,2-diol is prepared in analogy to rac-3-{4-[5-(2-ethylamino-6-methyl-pyrimidin-4-yl)-[1,2,4]oxadiazol-3-yl]-2,6-dimethyl-phenoxy}-propane-1,2-diol using 2-isobutylamino-6-methyl-pyrimidine-4-carboxylic acid; white crystalline solid; LC-MS: tR=0.90 min*; [M+H]+=428.25; 1H NMR (D6-DMSO): δ 0.93 (d, J=6.8 Hz, 6H), 1.91 (m, 1H), 2.35 (s, 6H), 2.41 (s, 3H), 3.18 (m, 2H), 3.50 (t, J=5.5 Hz, 2H), 3.75 (dd, J=5.5 and 8.8 Hz, 1H), 3.79-3.91 (m, 2H), 4.64 (t, J=5.5 Hz, 1H), 4.96 (d, J=5.0 Hz, 1H), 7.28 (s, 1H), 7.65 (s br, 1H), 7.76 (s, 2H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08299086B2 |
| Source dataset | uspto-grants-2012_10 |
| ORD ID | ord-8d820cd704974c43ae0828996cc725d5 |
| Source note | uspto-grants-2012_10 |