2,5-Dichloronicotinonitrile
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2,5-Dichloronicotinonitrile
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CAS No:
126954-66-3
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Formula:
C6H2Cl2N2
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Chemical Name:
2,5-Dichloronicotinonitrile
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Synonyms:
2,5-Dichloro-3-pyridinecarbonitrile;2,5-Dichloronicotinonitrile;2,5-Dichloropyridine-3-carbonitrile, 3-Cyano-2,5-dichloropyridine;2,5-dichloro-3-cyanopyridine;3-Pyridinecarbonitrile, 2,5-dichloro-;3-CYANO-2,5-DICHLOROPYRIDINE
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CAS No:
2,5-Dichloronicotinonitrile Use and Manufacturing
2, 5-Dichloronicotinamide (180 mg, 0.94 mmol) was dissolved in DCM (8.0 mL)Then, TFAA (0.16 mL, 1.20 mmol) was sequentially added thereto.And Et3N (0.30 mL, 2.20 mmol), The resulting mixture was reacted at room temperature for 1.5 hours.After the reaction, the reaction solution was added to water (50 mL).The resulting mixture was extracted with dichloromethane (80 mL×3), combined organicThe phase was washed with saturated brine (150 mL) and dried over anhydrous sodium sulfate.The filtrate was concentrated under reduced pressure.The residue was purified by silica gel column chromatography (EtOAc /EtOAcThe title compound was obtained as a white solid(155 mg, 95percent).2, 5-Dichloronicotinamide (180 mg, 0.94 mmol) was dissolved in DCM (8.0 mL)Then add them one after the otherTFAA (0.16 mL, 1.20 mmol)And Et3N (0.30 mL, 2.20 mmol), The resulting mixture was reacted at room temperature for 1.5 hours.After the reaction was completed, the reaction solution was added to water (50 mL).The resulting mixture was extracted with dichloromethane (80 mL×3).The combined organic phases were washed with brine (150 mL)Dry over anhydrous sodium sulfate and concentrate the filtrate under reduced pressure.The residue was purified by silica gel column chromatography(petroleum ether/ethyl acetate (v/v)=4/1)The title compound was obtained as a white solid (155 mg, 95percent).
Computed Properties
Molecular Weight:173.00
XLogP3:2.2
Hydrogen Bond Acceptor Count:2
Exact Mass:171.9595035
Monoisotopic Mass:171.9595035
Topological Polar Surface Area:36.7
Heavy Atom Count:10
Complexity:162
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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