| Identification | Back Directory | [Name]
5-bromo-6-chloronicotinonitrile | [CAS]
71702-01-7 | [Synonyms]
5-bromo-6-chloronicotinonitrile
3-BroMo-2-chloro-5-cyanopyridine
5-bromo-6-chloropyridine-3-carbonitrile
3-Pyridinecarbonitrile, 5-bromo-6-chloro- | [Molecular Formula]
C6H2BrClN2 | [MDL Number]
MFCD11840998 | [MOL File]
71702-01-7.mol | [Molecular Weight]
217.45 |
| Chemical Properties | Back Directory | [Melting point ]
156-158° | [Boiling point ]
265.6±35.0 °C(Predicted) | [density ]
1.85±0.1 g/cm3(Predicted) | [storage temp. ]
Inert atmosphere,Room Temperature | [pka]
-4.33±0.10(Predicted) | [Appearance]
Off-white to light brown Solid |
| Hazard Information | Back Directory | [Synthesis]
Step 2; 5-Bromo-6-chloronicotinonitrile; To a solution of anhydrous CuCl2 (77 mg, 0.58 mmol) in acetonitrile (3 mL) was added tert-butyl cyanide (0.72 mmol). The reaction mixture was heated to 65 °C, followed by the addition of a suspension of acetonitrile (2 mL) of the above intermediate 6-amino-5-bromonicotinonitrile (96 mg, 0.48 mmol). The reaction mixture was stirred continuously for 3 hours. After completion of the reaction, the mixture was cooled to room temperature, poured into 3M HCl solution and extracted with ethyl acetate (EtOAc). The organic layer was dried with anhydrous Na2SO4 and subsequently concentrated under reduced pressure to remove the solvent. The product was purified by silica gel fast column chromatography (eluent: hexane/ethyl acetate, 2:1, v/v) to afford 5-bromo-6-chloronicotinonitrile (55 mg, 55% yield).1H-NMR (DMSO-d6, 300 MHz): δ 8.93 (s, 1H), 8.90 (s, 1H). | [References]
[1] Patent: WO2005/90337, 2005, A1. Location in patent: Page/Page column 43 |
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