3-BROMO-2-CHLORO-6-METHOXYPYRIDINE
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3-BROMO-2-CHLORO-6-METHOXYPYRIDINE
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CAS No:
777931-67-6
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Formula:
C6H5BrClNO
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Chemical Name:
3-BROMO-2-CHLORO-6-METHOXYPYRIDINE
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Synonyms:
3-BROMO-2-CHLORO-6-METHOXYPYRIDINE;Pyridine, 3-bromo-2-chloro-6-methoxy-;ACMC-209pbr;SCHEMBL15512652;CTK5E4944;DTXSID70674434;ANW-37093;MFCD10699710;ZINC38537001;3-bromo-2-chloro-6-methoxy-pyridine
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CAS No:
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
3-BROMO-2-CHLORO-6-METHOXYPYRIDINE Use and Manufacturing
To a stirred solution of 9(7.00 g, 48.8 mmol) in CH3CN (25 mL) was added NBS (13.0 g, 73.1 mmol) at room temperature. The resulting mixture was refluxed for 24 h. Then the reaction was quenched with saturated aqueous Na2S2O3and extracted with EtOAc. The organic layer was dried over anhydrous Na2SO4, filtered and concentrated under reduced pressure. The residue was purified by column chromatography (SiO2, n-hexane–EtOAc=98 : 2) to afford methoxypyridine 31(6.83 g, 63percent) as a colorless solid.31: mp 64–65°C; IR (film, cm−1): 1584, 1551, 1466, 1408, 1344, 1306, 1256, 1155, 1121, 1022, 1009; 1H-NMR (CDCl3, 500 MHz) δ: 7.72 (d, J=8.50 Hz, 1H), 6.58 (d, J=8.50 Hz, 1H), 3.92 (s, 3H); 13C-NMR (CDCl3, 125 MHz) δ: 162.4, 147.3, 143.8, 110.9, 110.1, 54.3; HR-MS (ESI-TOF): Calcd for C6H6BrClNO [(M+H)+] 221.9316. Found 221.9314.
Computed Properties
Molecular Weight:222.47
XLogP3:2.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:220.92430
Monoisotopic Mass:220.92430
Topological Polar Surface Area:22.1
Heavy Atom Count:10
Complexity:114
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-BROMO-2-CHLORO-6-METHOXYPYRIDINE
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