1-(4-Bromophenyl)ethylamine
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1-(4-Bromophenyl)ethylamine
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CAS No:
24358-62-1
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Formula:
C8H10BrN
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Chemical Name:
1-(4-Bromophenyl)ethylamine
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Synonyms:
Benzenemethanamine,4-bromo-α-methyl-;Benzylamine,p-bromo-α-methyl-;4-Bromo-α-methylbenzenemethanamine;1-(4′-Bromophenyl)ethylamine;1-(p-Bromophenyl)ethylamine;1-(4-Bromophenyl)ethylamine;(±)-p-Bromo-α-methylbenzylamine;(RS)-1-(p-Bromophenyl)ethylamine;α-(p-Bromophenyl)ethylamine;α-Methyl-4-bromobenzenemethanamine;4-(1-Aminoethyl)-1-bromobenzene;(±)-1-(4-Bromophenyl)ethylamine;4-Bromo-1-(1-aminoethyl)benzene;(4-Bromo-α-methylbenzyl)amine;1-(4-Bromophenyl)ethanamine;α-Methyl-p-bromobenzylamine;1-(4-Bromophenyl)ethaneamine;1-(4-Bromophenyl)ethan-1-amine;64313-06-0
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CAS No:
Safety Information
III
8
UN 2735 8/PG 2
3
34
26-36/37/39-45
C
P280-P305 + P351 + P338-P310
H314
|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory.
1-(4-Bromophenyl)ethylamine Use and Manufacturing
General procedure: A mixture of benzaldehyde oxime (0.121 g, 1 mmol) and nano Fe3O4 (0.046 g, 0.2 mmol) (nano particle size≈70 nm) was ground in a porcelain mortar. ZrCl4 (0.233 g, 1 mmol) was then added and grinding the mixture was continued for a moment at room temperature. The mortar was heated in an oil bath until the temperature of reaction mixture reaches 75–80 °C. NaBH3CN (0.314 g, 5 mmol) wasthen added portion wisely and the mixture was ground for15 min at 75–80 °C. After completion of the reaction, H2O(5 mL) was added and the mixture was stirred for 5 min. The mixture was extracted with EtOAc (2 × 5 mL) and then dried over anhydrous Na2SO4. Evaporation of the solvent affords the pure liquid benzylamine in 93 percent yield (0.1 g, Table 2, entry 1).In a 5L reaction flask, p-bromoacetophenone 1000g, ammonium formate 1445g, slowly heated to 120 degrees, the two materials slowly dissolved into a liquid state, stirring was turned on, maintaining 120 degrees for 2 hours.The reaction temperature was then raised to 180 degrees and incubated for 5 hours.Stop the reaction. After cooling, add water, methylene chloride, separate the layers, and concentrate the organic phase. Add 670 ml of concentrated hydrochloric acid and 1000 mM.Precipitation, reflux, 1-2 hours, The reactants were solid first, followed by clarification, and a large amount of solids precipitated. After the reaction was completed and slightly cold, another 1000 ml of toluene was added and the mixture was cooled to room temperature with stirring. After filtration, the solid was washed twice more with toluene, and the solid was dried to obtain the hydrochloride salt of the product, which was neutralized with sodium hydroxide, extracted with dichloromethane, dried and concentrated, and distilled under reduced pressure to obtain pure product (814 g). 81percent.
Computed Properties
Molecular Weight:200.08
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:198.99966
Monoisotopic Mass:198.99966
Topological Polar Surface Area:26
Heavy Atom Count:10
Complexity:97.4
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes