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1-Bromo-3-phenylpropane

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CAS:637-59-2
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  • 1-Bromo-3-phenylpropane
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  • 2025-09-25
  • CAS:637-59-2
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  • Purity: 99%
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1-Bromo-3-phenylpropane Basic information
Product Name:1-Bromo-3-phenylpropane
Synonyms:1-Phenyl-3-bromopropane;Benzene, (3-bromopropyl)-;(3-Bromopropyl)benzene, 3-Phenylpropyl bromide, Hydrocinnamyl bromide;1-Bromo-3-phenylprop;(3-Bromoprop-1-yl)benzene, 3-Phenylpropyl bromide;1-BroMo-3-phenylpropane, 98% 100ML;1-Bromo-3-phenylpropane (3-Bromopropyl)benzene;3-PHENYLPROPYL BROMIDE FOR SYNTHESIS
CAS:637-59-2
MF:C9H11Br
MW:199.09
EINECS:211-294-7
Product Categories:Bromine Compounds
Mol File:637-59-2.mol
1-Bromo-3-phenylpropane Structure
1-Bromo-3-phenylpropane Chemical Properties
Melting point -10°C (estimate)
Boiling point 237-238 °C (lit.)
density 1.31 g/mL at 25 °C (lit.)
refractive index n20/D 1.546(lit.)
Fp 215 °F
storage temp. Inert atmosphere,Room Temperature
solubility Chloroform, Methanol
form Liquid
Specific Gravity1.31
color Clear colorless to light yellow
Water Solubility INSOLUBLE
BRN 2205527
InChI1S/C9H11Br/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKeyXMZQWZJMTBCUFT-UHFFFAOYSA-N
SMILESBrCCCc1ccccc1
CAS DataBase Reference637-59-2(CAS DataBase Reference)
NIST Chemistry Reference1-Bromo-3-phenylpropane(637-59-2)
EPA Substance Registry System(3-Bromopropyl)benzene (637-59-2)
Safety Information
Hazard Codes Xn,Xi
Risk Statements 22-36/38-36/37/38
Safety Statements 26-37/39
RIDADR 2810
WGK Germany 3
TSCA TSCA listed
HS Code 29036990
Storage Class10 - Combustible liquids
Hazard ClassificationsEye Irrit. 2
Skin Irrit. 2
STOT SE 3
MSDS Information
ProviderLanguage
1-Bromo-3-phenylpropane English
SigmaAldrich English
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ALFA English
1-Bromo-3-phenylpropane Usage And Synthesis
Chemical PropertiesColorless to light yellow liqui
Uses1-Bromo-3-phenylpropane is used in the synthesis of MraY natural inhibitors as antibacterial agents. Also used in the preparation of quinolinone derivatives as potent and selective MAO-B inhibitors.
Synthesis Reference(s)Chemical and Pharmaceutical Bulletin, 31, p. 4189, 1983 DOI: 10.1248/cpb.31.4189
SynthesisPhenylpropanol (137 g, 1 mol) was dissolved in dichloromethane solvent containing triethylamine (205 g, 2 mol). 900 mL, cooled down to 0-5 C, slowly added methanesulfonyl chloride (172 g, 1.5 mol) dropwise, dropwise, slowly increased to 25-30 C, stirring . Reaction 2 ~ 4h, TLC to monitor the completion of the reaction, the reaction solution was concentrated to dryness, to obtain the compound of formula 3; without separation, add an appropriate amount of DMF Dissolve, add sodium bromide (255g, 2.5mol), stir the reaction at 25-30 for 6-8h, TLC to monitor the completion of the reaction, filtration, filter The liquid was added with 800 mL of water and 1000 mL of ethyl acetate, extracted and partitioned, the organic layer was washed, dried and concentrated to obtain about 160 g of 1-bromo-3-phenylpropane.
Purification MethodsWash the bromide successively with conc H2SO4, water, 10% aqueous Na2CO3 and again with water, then dry it with CaCl2 and fractionally distil it just before use. [Beilstein 5 IV 982.]
Tag:1-Bromo-3-phenylpropane(637-59-2) Related Product Information
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