2-Bromo-5-chloro-3-fluoropyridine
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2-Bromo-5-chloro-3-fluoropyridine
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CAS No:
514797-97-8
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Formula:
C5H2BrClFN
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Chemical Name:
2-Bromo-5-chloro-3-fluoropyridine
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Synonyms:
2-Bromo-5-chloro-3-fluoropyridine;2-Bromo-3-fluoro-5-chloropyridine;Pyridine, 2-bromo-5-chloro-3-fluoro-;MFCD11044268;PubChem14529;SCHEMBL2300183;CTK4J4319;DTXSID30450094;ABBYPHARMA AP-30-5968;BCP21198
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CAS No:
Safety Information
|Warning|H302+H312+H332 (33.33%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|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 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Bromo-5-chloro-3-fluoropyridine Use and Manufacturing
Step 1: 2-bromo-5-chloro-3-fluoropyridine [0218] 5-chloro-3-fluoropyridin-2-amine (5.0 g, 34 mmol) was slowly added to 48percent HBr solution (20 mL) with stirring at 0°C. To the resulting mixture E (5.24 mL, 102.3 mmol) was then added over 20 minutes at 0°C. The reaction mixture was cooled to -10°C. A solution of NaNC'2 (5.88 g, 85.3 mmol) in water (20 mL) was added over 1.5 hours, and the mixture stirred for additional 30 minutes. A solution of NaOH (12 g, 306 mmol) in water (20 mL) was added over 30 minutes, and the mixture was allowed to warm to room temperature. The mixture was extracted with ether (3x 100 mL). The combined organic phases were washed with brine, dried over sodium sulfate, filtered, and concentrated to afford the title compound as pale yellow solid (6.43 g, 90percent). 1H NMR (400 MHz, CDC15-chioro-3-fluoropvridin-2-amine (5.0 g, 34 turned) was slowly added to 48percent HBrpercentoluuon (20 ml) ith snwng ii 0 ( to 1 e iesultnig m11uie 13L ( 24 ml 102 ‘ mrnob was then added over 20 minute.s at 0 C. The reaction mixture was cooled to 1 0 ‘C. A solunon of NaNO2 (5.88 g, 85.3 mmol) in water (20 mL) was added over I .5 hours, and the mixture stirred for additional 30 minutes. A solution of NaOH. (12 g, 306 mmol) in water (20 mL) was added over 30 mmnutesand the mixture was allowed to warm to room temperature. Th.e mixture was extracted with ether (3 x 1 00 rnL). The combined orgamc phases were washed with brine, dried over sodium sulfate, filtered, and concentrated to afford the title compound as a pale yellow solid (6.43 g, 90percent). H NMR (400 MHz, CDCh 6 8.23 (d, 12.1 Hz, 111), 7.48 (dd, J’ 7.1. 21 Hz, IN).Example 6(b) 2-Bromo-5-chloro-3-fluoropyridine. To solid 5-chloro-3-fluoro-2-hydroxypyridine (75 g, 0.51 mmol) was added melted POBr
Computed Properties
Molecular Weight:210.43
XLogP3:2.6
Hydrogen Bond Acceptor Count:2
Exact Mass:208.90432
Monoisotopic Mass:208.90432
Topological Polar Surface Area:12.9
Heavy Atom Count:9
Complexity:103
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
2-Bromo-5-chloro-3-fluoropyridine
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