HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 90438198, compound → HCID 90413080, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | HCID 90438198 | HCID 90438198 | — |
| Solvent | Ethanol | HCID 702 | — |
| Solvent | Palladium hydroxide | HCID 9942167 | — |
| Product | HCID 90413080 | HCID 90413080 | — |
Reaction Steps
The title compound was prepared from (E)-ethyl 3-(2-fluoro-4-(1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazol-3-yl)phenyl)acrylate (CB13) using palladium hydroxide on carbon and ethanol as solvent; isolated as a tan solid (0.871 g, 67%, 85% pure): 1H NMR (400 MHz, CDCl3) δ 8.56 (s, 1H), 7.92-7.82 (m, 2H), 7.79 (d, J=9.0 Hz, 2H), 7.43-7.36 (m, 2H), 7.32 (t, J=7.8 Hz, 1H), 4.14 (q, J=7.1 Hz, 2H), 3.03 (t, J=7.7 Hz, 2H), 2.67 (dd, J=8.2, 7.2 Hz, 2H), 1.24 (t, J=7.1 Hz, 3H); 19F NMR (376 MHz, CDCl3) δ (376 MHz, CDCl3) δ −58.03, −117.98; ESIMS m/z 423 ([M]+).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US09029560B2 |
| Source dataset | uspto-grants-2015_05 |
| ORD ID | ord-a96a8228d2f44158a72166a68eb63f8d |
| Source note | uspto-grants-2015_05 |