3-(4-Methylpiperazin-1-yl)aniline Chemical Properties

Melting point:

98-99

Boiling point:

353.1±37.0 °C(Predicted)

Density 

1.092±0.06 g/cm3(Predicted)

storage temp. 

Keep in dark place,Inert atmosphere,Room temperature

solubility 

soluble in Methanol

form 

powder to crystal

pka

7.88±0.42(Predicted)

color 

White to Yellow to Orange

InChI

InChI=1S/C11H17N3/c1-13-5-7-14(8-6-13)11-4-2-3-10(12)9-11/h2-4,9H,5-8,12H2,1H3

InChIKey

RJGHJWKQCJAJEP-UHFFFAOYSA-N

SMILES

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

CAS DataBase Reference

148546-99-0

Safety Information

Hazard Codes 

C

Risk Statements 

20/21/22-34

Safety Statements 

22-26-36/37/39-45

RIDADR 

2923

Hazard Note 

Corrosive

HazardClass 

8

PackingGroup 

III

HS Code 

29339900

3-(4-Methylpiperazin-1-yl)aniline Usage And Synthesis

Uses

3-(4-methylpiperazin-1-yl)aniline is an amine derivative used in organic and pharmaceutical synthesis.

Chemical Properties

Yellow solid

Synthesis

Step - (ii): Synthesis of 3-(4-methylpiperazin-1-yl)aniline: A methanolic solution of 1-methyl-4-(3-nitrophenyl)piperazine (15 g, 78.5 mmol) was mixed with a methanolic solution of 10% Pd/C (3 g) under stirring. The reaction was carried out under inert atmosphere with slow stirring and under hydrogen atmosphere for 4 hours at room temperature. After completion of the reaction, the reaction mixture was filtered through a diatomaceous earth pad. The filtrate was concentrated to afford the target product 3-(4-methylpiperazin-1-yl)aniline (11 g, 87%) as a light yellow solid. Mass spectrum (electrospray ionization) m/z: 192 (M + 1).

References

[1] Bioorganic and Medicinal Chemistry Letters, 2010, vol. 20, # 17, p. 5221 - 5224
[2] Patent: WO2007/18941, 2007, A2. Location in patent: Page/Page column 96-97
[3] Journal of Medicinal Chemistry, 2017, vol. 60, # 12, p. 5099 - 5119
[4] RSC Advances, 2018, vol. 8, # 22, p. 11871 - 11885
[5] Patent: WO2014/125410, 2014, A1. Location in patent: Page/Page column 39; 40

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