3-bromo-2-(bromomethyl)pyridine
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3-bromo-2-(bromomethyl)pyridine
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CAS No:
754131-60-7
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Formula:
C6H5Br2N
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Chemical Name:
3-bromo-2-(bromomethyl)pyridine
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Synonyms:
3-BROMO-2-(BROMOMETHYL)PYRIDINE;Pyridine, 3-bromo-2-(bromomethyl)-;3-Bromo-2-bromomethylpyridine;SCHEMBL507581;3-Bromo-2-bromomethyl-pyridine;KS-00000SHE;MFCD09999976;ZINC98086072;AKOS024259034;DS-9406
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CAS No:
Safety Information
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, 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-(bromomethyl)pyridine Use and Manufacturing
A mixture of 6a (1 g, 5.8 mmol), benzoylperoxide (101 mg, 0.4 mmol) and NBS (1.1 g, 6.39 mmol) in CCIOperations: 100g of compound 1 (3-bromo-2-methyl pyridine, TCI (Shanghai) Chemical Industry Co., Ltd.) wasdissolved in carbon tetrachloride. 155g of N-bromosuccinimide and 5g of benzoyl peroxide were added and refluxed for48h under nitrogen protection and cooled to filter off insoluble substances. After being added with an appropriate amountof ethyl acetate, the organic phase was washed with diluted hydrochloric acid once, then washed with a saturatedaqueous solution of sodium bicarbonate, and finally washed and extracted with saturated brine. The organic phase wasdried, filtered and distilled under reduced pressure to obtain a pale yellow oily substance, isolated by column chromatographyto obtain compound 2 (43g, yield 30percent). MS: m/z 251.8.100 g of compound 1 (3-bromo-2-methylpyridine, TCI (Shanghai) Chemical Industry Co., Ltd.) was dissolved in carbon tetrachloride. 155 g of N-bromosuccinimide and 5 g of benzoyl peroxide were added and refluxed for 48 h under nitrogen protection and cooled to filter off insoluble substances. After being added with an appropriate amount of ethyl acetate, the organic phase was washed with diluted hydrochloric acid once, then washed with a saturated aqueous solution of sodium bicarbonate, and finally washed and extracted with saturated brine. The organic phase was dried, filtered and distilled under reduced pressure to obtain a pale yellow oily substance, isolated by column chromatography to obtain compound 2 (43 g, yield 30percent). MS: m/z 251.8.
Computed Properties
Molecular Weight:250.92
XLogP3:2.1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:250.87682
Monoisotopic Mass:248.87887
Topological Polar Surface Area:12.9
Heavy Atom Count:9
Complexity:87.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes