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.)

Flash point:

215 °F

storage temp. 

Inert atmosphere,Room Temperature

solubility 

Chloroform, Methanol

form 

Liquid

Specific Gravity

1.31

color 

Clear colorless to light yellow

Water Solubility 

INSOLUBLE

BRN 

2205527

InChI

1S/C9H11Br/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2

InChIKey

XMZQWZJMTBCUFT-UHFFFAOYSA-N

SMILES

BrCCCc1ccccc1

CAS DataBase Reference

637-59-2(CAS DataBase Reference)

NIST Chemistry Reference

1-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 Class

10 - Combustible liquids

Hazard Classifications

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

MSDS

• Language:English Provider:1-Bromo-3-phenylpropane
• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

1-Bromo-3-phenylpropane Usage And Synthesis

Chemical Properties

Colorless to light yellow liqui

Uses

1-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

Synthesis

Phenylpropanol (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 Methods

Wash 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.]

1-Bromo-3-phenylpropane(637-59-2)Related Product Information

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