HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-(Trifluoromethyl)benzaldehyde → HCID 46213242, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 3-(Trifluoromethyl)benzaldehyde | HCID 67990 | — |
| Reactant | 2,2-Dicyclohexyl-N-((3aS,4S,6aR)-octahydrocyclopenta[c]pyrrol-4-yl)acetamide | HCID 46213053 | — |
| Reactant | HCID 66590947 | HCID 66590947 | — |
| Product | HCID 46213242 | HCID 46213242 | — |
Reaction Steps
The title compound was prepared by substituting 3,5-bis(trifluoromethyl)benzaldehyde for 3-(trifluoromethyl)benzaldehyde and N-((3aS,4R,6aR)-octahydrocyclopenta[c]pyrrol-4-yl)-3-(trifluoromethyl)benzenesulfonamide from Example 191 Step A for 2,2-dicyclohexyl-N-[(3aS,4S,6aR)-octahydrocyclopenta[c]pyrrol-4-yl]acetamide in the procedure described for Example 54: 1H NMR (500 MHz, pyridine-d5) δ ppm 9.53 (d, J=7.4, 1H), 8.42 (s, 1H), 8.30 (d, J=7.9, 1H), 8.03 (s, 1H), 7.96 (s, 2H), 7.81 (d, J=7.8, 1H), 7.60 (t, J=7.9, 1H), 3.82-3.74 (m, 1H), 3.59 (s, 2H), 2.68-2.64 (m, 1H), 2.59-2.49 (m, 2H), 2.38-2.33 (m, 1H), 2.23 (dt, J=5.9, 8.9, 2H), 1.97-1.81 (m, 2H), 1.59 (ddd, J=8.2, 11.8, 13.0, 1H), 1.35-1.24 (m, 1H); MS (ESI+) m/z 561 (M+H)+.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08129417B2 |
| Source dataset | uspto-grants-2012_03 |
| ORD ID | ord-4879fc56766347608d65b5b4d9d42a85 |
| Source note | uspto-grants-2012_03 |