HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-(Thiophen-2-yl)benzoic acid → (1R,6S)-3-{[5-Fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl]carbonyl}-8-[4-(trifluoromethyl)pyrimidin-2-yl]-3,8-diazabicyclo[4.2.0]octane
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 2-(Thiophen-2-yl)benzoic acid | HCID 5105623 | — |
| Reactant | 5-fluoro-2-(2H-1,2,3-triazol-2-yl)benzoic acid | HCID 67086948 | — |
| Reactant | HCID 67116508 | HCID 67116508 | — |
| Reactant | (1R,6S)-8-(4,6-Dimethyl-pyrimidin-2-yl)-3,8-diaza-bicyclo[4.2.0]octane | HCID 68156939 | — |
| Product | (1R,6S)-3-{[5-Fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl]carbonyl}-8-[4-(trifluoromethyl)pyrimidin-2-yl]-3,8-diazabicyclo[4.2.0]octane | HCID 52919938 | — |
Reaction Steps
The title compound was prepared in a manner analogous to Example 1, substituting (1R,6S)-8-(4-(trifluoromethyl)pyrimidin-2-yl)-3,8-diazabicyclo[4.2.0]octane (Intermediate 27) for (1R,6S)8-(4,6-dimethyl-pyrimidin-2-yl)-3,8-diaza-bicyclo[4.2.0]octane and 5-fluoro-2-[1,2,3]triazol-2-yl-benzoic acid (Intermediate 13) for 2-thiophen-2-yl-benzoic acid. MS (ESI) mass calcd. For C20H17F4N7O, 447.40; m/z found 448.0 [M+H]+.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08680275B2 |
| Source dataset | uspto-grants-2014_03 |
| ORD ID | ord-28293f2fa71d4ff1b7363a0edfac3752 |
| Source note | uspto-grants-2014_03 |