3-Bromo-5-fluoroanisole
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3-Bromo-5-fluoroanisole
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CAS No:
29578-39-0
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Formula:
C7H6BrFO
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Chemical Name:
3-Bromo-5-fluoroanisole
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Synonyms:
1-Bromo-3-fluoro-5-methoxybenzene, 3-Bromo-5-fluorophenyl methyl ether;Benzene, 1-bromo-3-fluoro-5-methoxy-;5-BROMO-3-FLUOROANISOLE;3-BROMO-5-FLUOROANISOLE;1-BROMO-3-FLUORO-5-METHOXYBENZENE;3-FLUORO-5-BROMO ANISOLE,=98%;3-Bromo-5-fluoro-1-methoxybenzene;3-Bromo-5-fluoroanis
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CAS No:
Safety Information
IRRITANT
1993
22
F,Xi,Xn
P210, P233, P240, P241, P242, P243, P264, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P313, P337+P313, P362, P370+P378, P403+P235, P501
H226
|Warning|H226 (50%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P264, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P313, P337+P313, P362, P370+P378, P403+P235, 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-5-fluoroanisole Use and Manufacturing
Synthesis of 4-(3-fluoro-5-(5-(trifluoromethyl)pyridin-2-yloxy)benzylidene)-N-(pyridin-3-yl)piperidine-1-carboxamide; Step 1; 1-Bromo-3-fluoro-5-methoxybenzene; To a solution of 1-bromo-3, 5-difluorobenzene (10 g, 0.052 mol) in dry DMF (300 mL) cooled to 0-5° C. was added sodium methoxide (5.60 g, 0.1036 mol) and the reaction mixture was stirred at RT for 24 h. The reaction mixture was extracted with ethyl acetate three times. The organic layer was washed with brine, dried over NaTo a solution of 1 -bromo-4-fluoro-2-methoxybenzene (910 mg, 4.4 mmol) and 1 M KHMDS (18 ml_, 18 mmol) in 1 , 4-dioxane (9 mL) was added tert- butyl (3R, 5R)- 3, 5- dimethylpiperazine-1 -carboxylate (950 mg, 4.4 mmol). The reaction mixture was stirred at 100 C for 3 h. The solvent was removed and the residue was purified by column chromatography (petroleum ether/EtOAc = 20:1 ) to provide tert- butyl {3R, 5R)- 4-(3-fluoro-5- methoxyphenyl)-3, 5-dimethylpiperazine-1 - carboxylate. LC-MS (ESI): m/z 339.0 [M+H]+.To a mixture of
Computed Properties
Molecular Weight:205.02
XLogP3:2.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:203.95861
Monoisotopic Mass:203.95861
Topological Polar Surface Area:9.2
Heavy Atom Count:10
Complexity:110
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
