HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-Fluorophenyl isocyanate → HCID 66997447, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 4-Fluorophenyl isocyanate | HCID 70955 | — |
| Reactant | (3aR,4S,6aS)-2-(6-(trifluoromethyl)pyridin-2-yl)octahydrocyclopenta[c]pyrrol-4-amine | HCID 66590059 | — |
| Reactant | HCID 66997100 | HCID 66997100 | — |
| Product | HCID 66997447 | HCID 66997447 | — |
Reaction Steps
The title compound was prepared by substituting 2-isocyanato-2-methylpropane for 1-fluoro-4-isocyanatobenzene and (3aR,4S,6aS)-2-(4-(trifluoromethoxy)phenyl)octahydrocyclopenta[c]pyrrol-4-amine from Example 716 Step 1 for (3aR,4S,6aS)-2-(6-(trifluoromethyl)pyridin-2-yl)octahydrocyclopenta[c]pyrrol-4-amine in the procedure described in Example 709: 1H NMR (500 MHz, pyridine-d5) δ ppm 7.19 (d, J=9.0 Hz, 2H), 6.61-6.51 (m, 2H), 6.26 (d, J=7.1 Hz, 1H), 5.89 (s, 1H), 4.30-4.18 (m, 1H), 3.51 (dd, J=9.8, 3.2 Hz, 1H), 3.24 (dd, J=9.7, 7.8 Hz, 1H), 3.10 (dd, J=9.4, 7.8 Hz, 1H), 2.95 (dd, J=9.6, 3.5 Hz, 1H), 2.71-2.54 (m, 2H), 2.11-2.00 (m, 1H), 1.93-1.79 (m, 1H), 1.56-1.49 (m, 1H), 1.47 (s, 9H), 1.40-1.23 (m, 1H); MS (ESI+) m/z 386 (M+H)+.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08691865B2 |
| Source dataset | uspto-grants-2014_04 |
| ORD ID | ord-977d1742635d4718baa4751fa8dde1b4 |
| Source note | uspto-grants-2014_04 |