HuagongsheHuagongshe Chemistry Print Report · For research reference only
Tetrahydrofuran → (S)-1-ethyl-3-(4-(7-(4-hydroxybutyl)-4-(3-methylmorpholino)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-2-yl)phenyl)urea
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Tetrahydrofuran | HCID 8028 | — |
| Reactant | 1-ethyl-3-(4-(4-(3-methylmorpholino)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-2-yl)phenyl)urea | HCID 67176600 | — |
| Product | (S)-1-ethyl-3-(4-(7-(4-hydroxybutyl)-4-(3-methylmorpholino)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-2-yl)phenyl)urea | HCID 59239598 | — |
Reaction Steps
During the synthesis of S)-1-ethyl-3-(4-(4-(3-methylmorpholino)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-2-yl)phenyl)urea (Step 3 of Example 286), the title compound sl (a white powder) was obtained as a by-product due to the oxidation of THF during long-term storage: 1H NMR (400 MHz, CDCl3) δ 8.35 (d, J=8.6 Hz, 2H), 7.36 (d, J=8.7 Hz, 2H), 6.33 (s, 1H), 4.62 (m, 1H), 3.89-3.55 (m, 6H), 3.39-3.15 (m, 5H), 2.98-2.52 (m, 7H), 1.74 (m, 8H), 1.33-1.02 (m, 6H); LC-MS m/z=483 (M+H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08163763B2 |
| Source dataset | uspto-grants-2012_04 |
| ORD ID | ord-00d00885704f445aad07ccd85661f45e |
| Source note | uspto-grants-2012_04 |