HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-(Thiophen-2-yl)benzoic acid → HCID 52920411, 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)-2-(3,8-diaza-bicyclo[4.2.0]oct-8-yl)quinoxaline | HCID 68156918 | — |
| 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 52920411 | HCID 52920411 | — |
Reaction Steps
The title compound was prepared in a manner analogous to Example 1, substituting (1R,6S)-2-(3,8-diaza-bicyclo[4.2.0]oct-8-yl)quinoxaline (Intermediate 3) 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 C23H20FN7O, 429.46; m/z found 430.2 [M+H]+. 1H NMR (CD3OD): 8.42-7.97 (m, 2H), 7.88-7.44 (m, 5H), 7.39-6.20 (m, 3H), 5.08-4.67 (m, 1H), 4.41-3.44 (m, 6H), 3.25-3.07 (m, 1H), 2.39-1.86 (m, 2H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08680275B2 |
| Source dataset | uspto-grants-2014_03 |
| ORD ID | ord-580820fafc9b46c09e457ce92352f430 |
| Source note | uspto-grants-2014_03 |