| Identification | Back Directory | [Name]
3-(4-Methylpiperazin-1-yl)aniline | [CAS]
148546-99-0 | [Synonyms]
AKOS BB-8951
3-(4-Methypiperazin-1-yl)anilin
3-(4-METHYLPIPERAZIN-1-YL)ANILINE
3-(4-Methyl-1-piperazinyl)aniline
1-(3-Aminophenyl)-4-methylpiperazine
3-(4-methylpiperazin-1-yl)benzenamine
3-(4-Methylpiperazin-1-yl)aniline 97%
3-(4-Methylpiperazin-1-yl)aniline ,97%
Benzenamine, 3-(4-methyl-1-piperazinyl)-
Benzenamine, 3-(4-methyl-1-piperazinyl)- (9CI) | [Molecular Formula]
C11H17N3 | [MDL Number]
MFCD08435857 | [MOL File]
148546-99-0.mol | [Molecular Weight]
191.27 |
| Chemical Properties | Back Directory | [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 |
| Hazard Information | Back Directory | [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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