4-Bromo-2-ethyl-1-fluorobenzene
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4-Bromo-2-ethyl-1-fluorobenzene
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CAS No:
627463-25-6
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Formula:
C8H8BrF
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Chemical Name:
4-Bromo-2-ethyl-1-fluorobenzene
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Synonyms:
Benzene,4-bromo-2-ethyl-1-fluoro-;4-Bromo-2-ethyl-1-fluorobenzene
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CAS No:
4-Bromo-2-ethyl-1-fluorobenzene Use and Manufacturing
The yellow oil from step A (2.8 g, 10 mmol) was dissolved in Ethyl acetate (200 mL). Palladium-on-carbon (10percent, 250 mg) was added and the mixture was hydrogenated under 1 atmosphere until TLC showed complete reaction. 4-Bromo-2-ethenyl-1 -fluorobenzene (2.0 g, 9.2 mmol) (prepared according to Buettelmann, B. et al., PCT patent application WO 2003097637) was dissolved in EtOAc (4 ml_) and AcOH (0.2 mL). The reaction mixture was degassed with nitrogen and 10percent Pd/C (200 mg) was added and the mixture was further degassed for 2 minutes. The reaction mixture was evacuated and back filled with hydrogen gas and the reaction mixture was stirred under an atmosphere of hydrogen for 1 h. Reaction mixture was filtered through Celite. The filtrate was diluted with EtOAc (30 mL) and washed with sat. NaHC04-Bromo-1-fluoro-2-vinylbenzene (470 mg) was hydrogenated in EtOAc with 10percent Pd/C (100 mg) with a hydrogen balloon for 2.0 h. The Pd/C was removed by filtration. The filtrate was condensed to give 95A (290 mg, 62percent yield) as an orange oil. To a solution of compound 31-2 (46.0 g, 210.0 mmol) and triethylsilane (48.8 g, 420.0 mmol, 66.9 mL) in DCM (500.0 mL) was added BF
Computed Properties
Molecular Weight:203.05
XLogP3:3.5
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:201.97934
Monoisotopic Mass:201.97934
Heavy Atom Count:10
Complexity:105
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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