HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-(4-Cyano-2-(methylsulfonyl)phenyl)-N-methyl-2,5-dioxo-1-(3-(trifluoromethyl)-phenyl)-1,2,5,6,7,8-hexahydroquinazoline-3(4H)-carboxamide → 4-(4-Cyano-2-(methylsulfonyl)phenyl)-1-(3-(difluoromethyl)phenyl)-N-methyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinazoline-3(4H)-carboxamide
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 4-(4-Cyano-2-(methylsulfonyl)phenyl)-N-methyl-2,5-dioxo-1-(3-(trifluoromethyl)-phenyl)-1,2,5,6,7,8-hexahydroquinazoline-3(4H)-carboxamide | HCID 86732388 | — |
| Reactant | 4-nitrophenyl 4-(4-cyano-2-(methylsulfonyl)-phenyl)-1-(3-(difluoromethyl)phenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinazoline-3(4H)-carboxylate | HCID 86732391 | — |
| Product | 4-(4-Cyano-2-(methylsulfonyl)phenyl)-1-(3-(difluoromethyl)phenyl)-N-methyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinazoline-3(4H)-carboxamide | HCID 86732390 | — |
Reaction Steps
The title compound is prepared in analogy to 4-(4-cyano-2-(methylsulfonyl)-phenyl)-N-methyl-2,5-dioxo-1-(3-(trifluoromethyl)phenyl)-1,2,5,6,7,8-hexahydroquinazoline-3(4H)-carboxamide (example 47), using 4-nitrophenyl 4-(4-cyano-2-(methylsulfonyl)-phenyl)-1-(3-(difluoromethyl)phenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinazoline-3(4H)-carboxylate (intermediate 39, 16 mg, 25 μmol), as starting material. Yield: 9 mg, ESI mass spectrum [M+H]+=529; Retention time HPLC: 0.97 min (Z017_S04).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US09115093B2 |
| Source dataset | uspto-grants-2015_08 |
| ORD ID | ord-2b8c915f9a7b4080ada9133e86d8213d |
| Source note | uspto-grants-2015_08 |