3-Bromo-2-chloro-4-methylpyridine
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3-Bromo-2-chloro-4-methylpyridine
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CAS No:
55404-31-4
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Formula:
C6H5BrClN
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Chemical Name:
3-Bromo-2-chloro-4-methylpyridine
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Synonyms:
Pyridine,3-bromo-2-chloro-4-methyl-;3-Bromo-2-chloro-4-methylpyridine;3-Bromo-2-chloro-4-picoline
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CAS No:
Safety Information
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-Bromo-2-chloro-4-methylpyridine Use and Manufacturing
(1) Step 2: Compound 93 (4.0 g, 21 mmol) was added portion-wise to neat POCIA mixture of Compound (III-3) (200 mg, 0.969 mmol) and compound (II-1) (158 mg, 0.969 mmol) were dissolved in DMSO(3.0 mL), cesium carbonate (411 mg, 1.26 mmol) was added and the mixture was stirred at 120°C for 16 hr. The reactionmixture was cooled, water was added, and the mixture was extracted with ethyl acetate. The organic layer was washedsuccessively with water and saturated brine, dried over anhydrous sodium sulfate, and filtered. The solvent was evaporatedunder reduced pressure, and the residue was purified by silica gel column chromatography (n-hexane:ethylacetate) to give compound (IV-3) (yield 79.4 mg, 25percent) as a white solid.DMSO (3.0 mL) was added to compound (III-3) (200 mg, 0.969 mmol) and compound (II-1) (158 mg, 0.969 mmol), And cesium carbonate (411 mg, 1.26 mmol)And the mixture was stirred at 120 ° C. for 16 hours.The reaction solution was cooled, water was added, And extracted with ethyl acetate. The organic layer was washed with water, And then washed successively with saturated brine, After drying with anhydrous sodium sulfate, filtration was carried out.After distilling off the solvent under reduced pressure, The residue was purified by silica gel column chromatography (n-hexane: ethyl acetate)Compound (IV-3)(Yield 79.4 mg, Yield 25percent)As a white solid.
Computed Properties
Molecular Weight:206.47
XLogP3:2.9
Hydrogen Bond Acceptor Count:1
Exact Mass:204.92939
Monoisotopic Mass:204.92939
Topological Polar Surface Area:12.9
Heavy Atom Count:9
Complexity:99.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-Bromo-2-chloro-4-methylpyridine
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