HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-(Thiophen-2-yl)benzoic acid → HCID 52918936, 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 | HCID 68156860 | HCID 68156860 | — |
| Reactant | (1R,6S)-8-(4,6-Dimethyl-pyrimidin-2-yl)-3,8-diaza-bicyclo[4.2.0]octane | HCID 68156939 | — |
| Product | HCID 52918936 | HCID 52918936 | — |
Reaction Steps
The title compound was prepared in a manner analogous to Example 1, substituting (1R,6S)-[4-(3,8-diaza-bicyclo[4.2.0]oct-8-yl)-6-methyl-pyrimidin-2-yl]-dimethyl-amine (Intermediate L) 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. MS (ESI) mass calcd. for C22H25FN8O, 436.492; m/z found 437.0 [M+H]+. 1H NMR (400 MHz, CDCl3): 8.19-7.72 (m, 2M), 7.55-7.29 (m, 2H), 7.21-6.81 (m, 1H), 5.52-5.08 (m, 1H), 4.70-4.26 (m, 1H), 4.13-3.44 (m, 5H), 3.23-3.03 (m, 2H), 2.95-2.70 (m, 5H), 2.30-1.68 (m, 6H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08680275B2 |
| Source dataset | uspto-grants-2014_03 |
| ORD ID | ord-2ce8a2f52b3444d9914df02c873ad659 |
| Source note | uspto-grants-2014_03 |