2,5-DIBROMO-3-FLUOROPYRIDINE
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2,5-DIBROMO-3-FLUOROPYRIDINE
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CAS No:
156772-60-0
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Formula:
C5H2Br2FN
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Chemical Name:
2,5-DIBROMO-3-FLUOROPYRIDINE
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Synonyms:
2,5-Dibromo-3-fluoropyridine;Pyridine, 2,5-dibromo-3-fluoro-;2,5-dibromo-3-fluoro-pyridine;MFCD06659497;PubChem17547;ACMC-209deo;KSC529C7P;SCHEMBL1577316;CTK4C9177;KS-00000DRZ
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CAS No:
Characteristics
12.9
2.7
White Solid
2.137±0.06 g/cm3(Predicted)
215.9±35.0 °C(Predicted)
84.4±25.9 °C
1.581
0.212mmHg at 25°C
Safety Information
6.1
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, 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, 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.
2,5-DIBROMO-3-FLUOROPYRIDINE Use and Manufacturing
A mixture solution of 2, 4, 6-trimethyl- 1 , 3 , 5 , 2, 4, 6-trioxatriborinane (8.87 g, 70.62 mmol, 2 eq), 2 , 5 -dibromo-3 -fluoropyridine (9.0 g, 35.31 mmol, 1 eq), Pd(Ph3P)4 (2.04 g, 1.77 mmol, 0.050 eq) andK2C03 (14.64 g, 105.93 mmol, 3 eq) in 1 , 4-dioxane (90 mL) was stirred at 100 C for 16 h under Ar. After it was cooled down to r.l, the reaction mixture was diluted with 40 mL EtOAc and filtered. The filtrate was washed with brine (20 mL), dried over anhy. Na2S04, and filtered. 4 M HC1 in EtOAc (20 mL) was added and the resulting solution was evaporated to dryness under reduced pressure. The residue was then treated with EtOAc (10 mL) and TBME (10 mL), and the precipitate was collected by vacuum filtration to give 5 -bromo-3 -fluoro-2- methylpyridine hydrochloride (4.8 g, 21.19 mmol, 33.61% yield) as a yellow solid. MS (ESI): 189.9 ([(79Br}M+H]+), 191.9 ([{81Br} +Hf). lH NMR (400 MHz, DMSO-d6) d ppm 8.47 (s, 1 H), 8.10 (dd, J=9.22, 1.82 Hz, 1 H), 2.42 (d, J=3.0l Hz, 3 H).To a solution of
Computed Properties
Molecular Weight:254.88
XLogP3:2.7
Hydrogen Bond Acceptor Count:2
Exact Mass:254.85175
Monoisotopic Mass:252.85380
Topological Polar Surface Area:12.9
Heavy Atom Count:9
Complexity:101
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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