HuagongsheHuagongshe Chemistry Print Report · For research reference only
Nitrogen → 2-(Bromomethyl)-5-fluorobenzonitrile
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Nitrogen | HCID 947 | — |
| Reactant | Azobisisobutyronitrile | HCID 6547 | — |
| Reactant | N-bromobutanimide | HCID 67184 | — |
| Reactant | 5-Fluoro-2-methylbenzonitrile | HCID 522668 | — |
| Solvent | Carbon Tetrachloride | HCID 5943 | — |
| Product | 2-(Bromomethyl)-5-fluorobenzonitrile | HCID 22015770 | 66% |
Reaction Steps
N2 was passed through a mixture of 5-fluoro-2-methylbenzonitrile (28.51 g, 211 mmol), NBS (41.31 g, 232 mmol) and AIBN (2.5 g, 15 mmol) in CCl4 (845 mL) for 10 min after which the reaction was heated at reflux for 8 h. After standing at room temperature overnight, the reaction mixture was filtered and the filter cake washed with CCl4 (500 mL). The combined filtrate was evaporated to give a yellow oil. Flash chromatography (SiO2) using 5–25% ethyl acetate/Hexanes as eluent afforded the title compound (29.74 g, 66% yield) as a pale yellow oil. 1H NMR (500 MHz, CDCl3) δ: 7.55 (1H, dd, J=8.6, 5.2 Hz), 7.37 (1H, dd, J=7.9, 2.8 Hz), 7.32–7.28 (1H, m), 4.61 (2H, s).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US07176196B2 |
| Source dataset | uspto-grants-2007_02 |
| ORD ID | ord-72f9443cb0f34cfca8dfa1c844ba3f89 |
| Source note | uspto-grants-2007_02 |