HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-{4-[3-cyclopentyl-4-(2,2-dimethyl-4-oxo-4H-1,3-dioxin-6-yl)-3-hydroxybut-1-ynyl]-2-fluorophenyl)-2-methylpropanenitrile → HCID 68865238, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 2-{4-[3-cyclopentyl-4-(2,2-dimethyl-4-oxo-4H-1,3-dioxin-6-yl)-3-hydroxybut-1-ynyl]-2-fluorophenyl)-2-methylpropanenitrile | HCID 58762654 | — |
| Reactant | HCID 68866352 | HCID 68866352 | — |
| Product | HCID 68865238 | HCID 68865238 | — |
Reaction Steps
The desired product was prepared analogously to Example A (97), step 4, substituting 2-{4-[3-Cyclopentyl-4-(2,2-dimethyl-6-oxo-6H-[1,3]dioxin-4-yl)-3-hydroxy-but-1-ynyl]-2,6-difluorophenyl}-2-ethyl-butyronitrile (3.11 g, 6.55 mmol) from Step 2 below in place of 2-{4-[3-cyclopentyl-4-(2,2-dimethyl-4-oxo-4H-1,3-dioxin-6-yl)-3-hydroxybut-1-ynyl]-2-fluorophenyl}-2-methylpropanenitrile. Yield: 1.52 g, 56%. 1H NMR (CDCl3) δ: 1.03 (t, J=3.65 Hz, 6H), 1.18–1.29 (m, 2H), 1.38–1 42 (m, 1H), 1.60–1.82 (m, 4H), 1.92–2.09 (m, 5H), 2.23–2.29 (m, 3H), 2.63–2.80 (m, 4H), 3.45 (d, J=3.6 Hz, 2H) 6.73 (d, J=10.8 Hz, 2H). MS (ESI): 416 (M−1).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US07148226B2 |
| Source dataset | uspto-grants-2006_12 |
| ORD ID | ord-c7acd0adf631497792660d729c4a1361 |
| Source note | uspto-grants-2006_12 |