HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-(Thiophen-2-yl)benzoic acid → HCID 67117301, compound
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 | 2-((1R,6S)-3,8-Diazabicyclo[4.2.0]octan-8-yl)-5-chlorobenzo[d]oxazole | HCID 67116781 | — |
| 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 67117301 | HCID 67117301 | — |
Reaction Steps
The title compound was prepared in a manner analogous to Example 1, substituting 2-((1R,6S)-3,8-diazabicyclo[4.2.0]octan-8-yl)-5-chlorobenzo[d]oxazole (Intermediate 32) 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. DCM was used in place of DMF. MS (ESI) mass calcd. For C22H18ClFN6O2, 452.88; m/z found 453.1 [M+H]+. 1H NMR (CD3OD): 8.02-7.63 (m, 2H), 7.48-7.24 (m, 3H), 7.21-6.69 (m, 3H), 4.86-3.35 (m, 7H), 3.15-2.95 (m, 1H), 2.27-1.72 (m, 2H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08680275B2 |
| Source dataset | uspto-grants-2014_03 |
| ORD ID | ord-9baa2e72350646c1bb8fc528953d1928 |
| Source note | uspto-grants-2014_03 |