HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-(Azetidin-3-yl)benzonitrile hydrochloride → HCID 178425810, 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 178425892 | HCID 178425892 | — |
| Reactant | HCID 178432711 | HCID 178432711 | — |
| Product | HCID 178425810 | HCID 178425810 | — |
Reaction Steps
The title compound was prepared using standard chemical manipulations and procedures similar to those used for the preparation of compound 5, except 3-(3,4-dimethyl-1H-pyrazol-5-yl)-4-methylbenzoic acid (compound 59.3) 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+) 389 (M+H)+. 1H NMR (400 MHz, DMSO-d6) δ 12.45-12.26 (br, 1H), 7.95 (d, J=8.0 Hz, 2H), 7.79 (d, J=8.0 Hz, 2H), 7.65 (d, J=7.2 Hz, 1H), 7.52 (d, J=2.0 Hz, 1H), 7.40 (d, J=8.0 Hz, 1H), 4.98-4.42 (m, 4H), 2.25 (s, 3H), 2.17 (s, 3H), 1.83 (s, 3H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US09428502B2 |
| Source dataset | uspto-grants-2016_08 |
| ORD ID | ord-f459bf14337642a28ca57d15b665a8bf |
| Source note | uspto-grants-2016_08 |