HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-(Thiophen-2-yl)benzoic acid → HCID 52920287, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 2-(Thiophen-2-yl)benzoic acid | HCID 5105623 | — |
| Reactant | 2-Fluoro-6-(2H-1,2,3-triazol-2-yl)benzoic acid | HCID 67086627 | — |
| Reactant | (1R,6S)-8-(6-Methylpyrazin-2-yl)-3,8-diazabicyclo[4.2.0]octane | HCID 67116766 | — |
| Reactant | (1R,6S)-8-(4,6-Dimethyl-pyrimidin-2-yl)-3,8-diaza-bicyclo[4.2.0]octane | HCID 68156939 | — |
| Solvent | Dichloromethane | HCID 6344 | — |
| Product | HCID 52920287 | HCID 52920287 | — |
Reaction Steps
The title compound was prepared in a manner analogous to Example 1, substituting (1R,6S)-8-(6-methylpyrazin-2-yl)-3,8-diazabicyclo[4.2.0]octane (Intermediate 30) for (1R,6S)8-(4,6-dimethyl-pyrimidin-2-yl)-3,8-diaza-bicyclo[4.2.0]octane and 2-fluoro-6-[1,2,3]triazol-2-yl-benzoic acid (Intermediate 15) for 2-thiophen-2-yl-benzoic acid. DCM was used in place of DMF. MS (ESI) mass calcd. For C20H21N7O, 375.44; m/z found 376.1 [M+H]+. 1H NMR (CD3OD): 8.08-7.75 (m, 3H), 7.68-7.37 (m, 4H), 7.33-6.82 (m, 1H), 4.70-3.78 (m, 5H), 3.64-2.97 (m, 3H), 2.43-2.01 (m, 5H). MS (ESI) mass calcd. For C20H20FN7O, 393.43; m/z found 394.1 [M+H]+. 1H NMR (CD3OD): 7.99-7.75 (m, 3H), 7.68-6.92 (m, 4H), 4.71-3.35 (m, 7H), 3.16-2.98 (m, 1H), 2.54-1.85 (m, 5H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08680275B2 |
| Source dataset | uspto-grants-2014_03 |
| ORD ID | ord-0f36d6a43b844bccbffcfe103b79aca4 |
| Source note | uspto-grants-2014_03 |