2-Bromo-4-fluoro-1-nitrobenzene
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2-Bromo-4-fluoro-1-nitrobenzene
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CAS No:
700-36-7
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Formula:
C6H3BrFNO2
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Chemical Name:
2-Bromo-4-fluoro-1-nitrobenzene
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Synonyms:
Benzene,2-bromo-4-fluoro-1-nitro-;2-Bromo-4-fluoro-1-nitrobenzene;1-Bromo-5-fluoro-2-nitrobenzene;2-Bromo-4-fluoronitrobenzene
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CAS No:
Characteristics
45.8
2.4
Pale yellow to green Solid
1.8±0.1 g/cm3
42 °C @ Solvent: Ligroine
70-75 °C @ Press: 0.4 Torr
89.3±21.8 °C
1.580
Safety Information
24/25
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 (80%): 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 5 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Bromo-4-fluoro-1-nitrobenzene Use and Manufacturing
To a solution of 4-fluoroaniline (20 g, 180 mmol) in dichloromethane (100 mL) at 0° C. was added N-bromosuccinimide (34 g, 180 mmol, in 60 mL dichloromethane) dropwise. The mixture was stirred at room temperature overnight. The reaction was washed with saturated sodium sulfite, saturated sodium bicarbonate, and brine and concentrated to provide the title compound (34 g, 154.5 mmol, 100percent). Silak reaction tube equipped with a magnetic stirrer was charged with 6.2 mg of silver sulfate, 36.3 mg of copper acetate, 12.5 mg of 2, 9-dimethyl-1, 10-o-phenanthroline, 37 mg of 2-nitro-5-fluorobenzoic acid and 30.9 mg of sodium bromide4 mL of dimethyl sulfoxide. Heat 160 ° C in the presence of oxygenReaction for 24 hours. After the reaction was completed, distilled water was added to quench the reaction, Extraction with ethyl acetate 3 times, each time 10mL, The combined organic phases were concentrated to give 14.5 mg of 2-nitro-5-fluorobromobenzene, The yield is 33percent.General procedure: m-CPBA(1.7 g, 8.0 mmol, 85percent) was dissolved in 1, 2-dichloroethane (15.0 mL) in a threeneckflask equipped with a condenser and heated to reflux (at rt in case of 1b).Then, the substrate aromatic amine (2.0 mmol) dissolved in 1, 2-dichloroethane(5.0 mL) was added dropwise to the refluxing peracid solution. After 10 h, themixture was cooled to rt and quenched with saturated aqueous Na2S2O3. Thesolvent was removed under reduced pressure and the residue was treated with10percent NaOH solution followed by extraction with EtOAc. The combined extracts were washed with H2O and brine, dried over anhydrous Na2SO4. Removal of thesolvent under vacuum afforded the crude product, which was purified bycolumn chromatography using hexane/ethyl acetate as eluant.
Computed Properties
Molecular Weight:220.00
XLogP3:2.4
Hydrogen Bond Acceptor Count:3
Exact Mass:218.93312
Monoisotopic Mass:218.93312
Topological Polar Surface Area:45.8
Heavy Atom Count:11
Complexity:161
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Business licensedTrader Supplier of pharmaceutical intermediates,excipients,plant extracts,food additives,CDMO,fine cheimcals,Octadecanedioic acid,Eicosanedioic AcidInquiryCAS No.: 700-36-7Grade: Pharmaceutical GradeContent: 99% -
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