HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-(Azetidin-3-yl)benzonitrile hydrochloride → HCID 178494306, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 4-(Azetidin-3-yl)benzonitrile hydrochloride | HCID 55254991 | — |
| Reactant | 4-(3-Fluoroazetidin-3-yl)benzonitrile hydrochloride | HCID 90021334 | — |
| Reactant | HCID 178432711 | HCID 178432711 | — |
| Reactant | 4-Cyclopropyl-5-(5-methoxy-1H-1,2,4-triazol-3-yl)-2-methylbenzoic acid | HCID 178494308 | — |
| Product | HCID 178494306 | HCID 178494306 | — |
Reaction Steps
The title compound was prepared using standard chemical manipulations and procedures similar to those used for the preparation of compound 5, except 4-cyclopropyl-5-(5-methoxy-4H-1,2,4-triazol-3-yl)-2-methylbenzoic acid (compound 91.6) and 4-(3-fluoroazetidin-3-yl)benzonitrile (compound 43.4) were used in place of 3-(2,4-dimethyl-1H-imidazol-5-yl)-4-methylbenzoic acid (compound 5.7) and 4-(azetidin-3-yl)benzonitrile hydrochloride (compound 5.2), respectively. m/z (ES+) 432 (M+H)+. 1H NMR (400 MHz, DMSO-d6) δ 13.66-13.01 (br, 1H), 7.96 (d, J=8.0 Hz, 2H), 7.76 (d, J=8.0 Hz, 2H), 7.61 (s, 1H), 6.86 (s, 1H), 4.60-4.38 (m, 4H), 3.91 (s, 3H), 2.82 (m, 1H), 2.34 (s, 3H), 0.94 (m, 2H), 0.71 (m, 2H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US09428502B2 |
| Source dataset | uspto-grants-2016_08 |
| ORD ID | ord-af0904eccf644e538059641b0f9a3ff6 |
| Source note | uspto-grants-2016_08 |