1-(4-BROMO-PHENYL)-4-METHYL-PIPERAZINE Chemical Properties

Boiling point:

331.0±37.0 °C(Predicted)

Density 

1.350±0.06 g/cm3(Predicted)

storage temp. 

2-8°C

pka

7.71±0.42(Predicted)

Appearance

Off-white to yellow Solid

InChI

InChI=1S/C11H15BrN2/c1-13-6-8-14(9-7-13)11-4-2-10(12)3-5-11/h2-5H,6-9H2,1H3

InChIKey

WCOODAWUEIXTFL-UHFFFAOYSA-N

SMILES

N1(C2=CC=C(Br)C=C2)CCN(C)CC1

1-(4-BROMO-PHENYL)-4-METHYL-PIPERAZINE Usage And Synthesis

Uses

1-(4-Bromophenyl)-4-methylpiperazine is a useful research chemical.

Synthesis

Procedure for the synthesis of 1-(4-bromophenyl)-4-methylpiperazine (PZ959-2): 4-bromostyrene (PZ959-1, 22 g, 0.13 mol), 2-chloro-N-(2-chloroethyl)-N-methylethylamine (25.9 g, 0.17 mol), and triethylamine (353.5 mL, 0.38 mol) were dissolved in ethanol (300 mL). The reaction was refluxed for 80 hours. After completion of the reaction, the solvent was removed by distillation under reduced pressure, and the obtained residue was purified by high efficiency rapid column chromatography (DCM:EtOH=10:1) to obtain the target product PZ959-2 (20.3 g, 61% yield). LC-MS showed that [M+H]+ m/z=255.1.

References

[1] Patent: WO2012/130299, 2012, A1. Location in patent: Page/Page column 149

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