4-(4-Methylpiperazino)benzaldehyde Chemical Properties

Melting point:

57 °C

Boiling point:

351.3±37.0 °C(Predicted)

Density 

1.107±0.06 g/cm3(Predicted)

storage temp. 

under inert gas (nitrogen or Argon) at 2-8°C

solubility 

soluble in Methanol

form 

powder to crystal

pka

7.63±0.42(Predicted)

color 

Light orange to Yellow to Green

InChI

InChI=1S/C12H16N2O/c1-13-6-8-14(9-7-13)12-4-2-11(10-15)3-5-12/h2-5,10H,6-9H2,1H3

InChIKey

PFODEVGLOVUVHS-UHFFFAOYSA-N

SMILES

C(=O)C1=CC=C(N2CCN(C)CC2)C=C1

CAS DataBase Reference

27913-99-1(CAS DataBase Reference)

Safety Information

Hazard Codes 

C

Risk Statements 

36/37/38

Safety Statements 

26-36/37/39-24/25

Hazard Note 

Corrosive

HazardClass 

IRRITANT

HS Code 

2912290090

4-(4-Methylpiperazino)benzaldehyde Usage And Synthesis

Synthesis

GENERAL STEPS: In 4.0 mL of dimethylformamide (DMF), 1-methylpiperazine (0.1 g, 0.001 mol) was dissolved. Potassium carbonate (K2CO3, 0.20 g, 0.0015 mol) was added to this solution and heated with stirring at 80 °C. After 30 minutes, 4-fluorobenzaldehyde (0.124 g, 0.001 mol) was added and the reaction continued to be heated for 6 hours. Upon completion of the reaction, the reaction mixture was cooled to room temperature and quenched dropwise by addition of ice water. The precipitated product was separated by filtration and dried. The resulting 4-(4-methylpiperazine)benzaldehyde product is pure and can be used in subsequent reactions without further purification (melting point: 60-62°C).

References

[1] Oriental Journal of Chemistry, 2013, vol. 29, # 4, p. 1531 - 1534
[2] Journal of Medicinal Chemistry, 2016, vol. 59, # 6, p. 2747 - 2759
[3] Patent: WO2008/152471, 2008, A1. Location in patent: Page/Page column 38-39
[4] Bioorganic Chemistry, 2014, vol. 57, p. 65 - 82
[5] Journal of Materials Chemistry B, 2015, vol. 3, # 10, p. 2173 - 2184

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