2-Bromo-6-methyl-3-pyridinamine
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2-Bromo-6-methyl-3-pyridinamine
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CAS No:
126325-53-9
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Formula:
C6H7BrN2
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Chemical Name:
2-Bromo-6-methyl-3-pyridinamine
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Synonyms:
3-Pyridinamine,2-bromo-6-methyl-;2-Bromo-6-methyl-3-pyridinamine;3-Amino-2-bromo-6-methylpyridine;(2-Bromo-6-methylpyridin-3-yl)amine;2-Bromo-3-amino-6-methylpyridine;2-Bromo-6-methylpyridin-3-amine
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CAS No:
Characteristics
38.9
1.6
1.593±0.06 g/cm3(Predicted)
287.0±35.0 °C(Predicted)
127.4±25.9 °C
1.617
Slightly soluble in water.
Safety Information
6.1
|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, P322, P330, P332+P313, P337+P313, P362, P363, 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.
2-Bromo-6-methyl-3-pyridinamine Use and Manufacturing
Lithium hexamethyldisilazide (53 mL, 85.4 mmol, 1.6 M) was added dropwise to To a mixture of compound 7a (5 g, 26.73 mmol) in anhydrous THF (70 mL) was added DMAP (6.35 g, 53.46 mmol). The reaction mixture was stirred at room temperature for 10 minutes, (Boc) 2O (17.50 g, 80.19 mmol) was added, then stirred at room temperature for 1 hour. The reaction mixture was concentrated in vacuum to give the crude residue, which was purified by column chromatography on silica gel (510%EtOAc in petroleum ether) to afford the desired product 7b (10 g, 96.6% yield) as a light-yellow solid. LCMS: Rt = 0.875 min in 5-95AB_220&254. lcm chromatography (ACSSH-LCMS-Q MERCK RP18 2.5-2mm), MS (ESI) m/z =388.9 [M+H] +. 1H NMR (400MHz, CDCl 3) delta 7.40 (d, J=7.6 Hz, 1H), 7.14 (d, J=7.6 Hz, 1H), 2.57 (s, 3H), 1.41 (s, 18H)
Computed Properties
Molecular Weight:187.04
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:185.97926
Monoisotopic Mass:185.97926
Topological Polar Surface Area:38.9
Heavy Atom Count:9
Complexity:97.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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