| Identification | More | [Name]
4-(4-Methylpiperazino)benzaldehyde | [CAS]
27913-99-1 | [Synonyms]
1-(4-FORMYLPHENYL)-4-METHYLPIPERAZINE
4-(4-METHYLPIPERAZIN-1-YL)BENZALDEHYDE
4-(4-METHYLPIPERAZINO)BENZALDEHYDE
4-(4-METHYLPIPERAZINO)BENZENECARBALDEHYDE
4-(4-METHYLPIPERAZINYL)BENZALDEHYDE
AKOS B022029
AKOS BB-5498
ART-CHEM-BB B022029
BUTTPARK 98\50-52
CHEMBRDG-BB 4302966
4-(4-METHYLPIPERAZIN-1-YL)BENZALDEHYDE, 95+%
4-(4-methyl-1-piperazinyl)-Benzaldehyde | [Molecular Formula]
C12H16N2O | [MDL Number]
MFCD00452233 | [Molecular Weight]
204.27 | [MOL File]
27913-99-1.mol |
| Chemical Properties | Back Directory | [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 Data | Back Directory | [Hazard Codes ]
C | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S24/25:Avoid contact with skin and eyes . | [Hazard Note ]
Corrosive | [HazardClass ]
IRRITANT | [HS Code ]
2912290090 |
| Hazard Information | Back Directory | [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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