Identification | Back Directory | [Name]
4-(4-METHYL-PIPERAZIN-1-YL)BENZONITRILE | [CAS]
34334-28-6 | [Synonyms]
AKOS B030325 4-(4-METHYLPIPERAZINO)BENZONITRILE 4-(Methyl-piperazin-1-yl)benzonitrile 4-(4-Methyl-1-piperazinyl)benzonitrile 4-(4-METHYL-PIPERAZIN-1-YL)BENZONITRILE Benzonitrile, 4-(4-methyl-1-piperazinyl)- | [Molecular Formula]
C12H15N3 | [MDL Number]
MFCD03546779 | [MOL File]
34334-28-6.mol | [Molecular Weight]
201.27 |
Chemical Properties | Back Directory | [Melting point ]
104-105℃ | [Boiling point ]
356.5±37.0 °C(Predicted) | [density ]
1.14 | [storage temp. ]
Sealed in dry,Room Temperature | [pka]
7.62±0.42(Predicted) | [Appearance]
White to light yellow Solid |
Hazard Information | Back Directory | [Synthesis]
The general procedure for the synthesis of 4-(4-methylpiperazin-1-yl)benzonitrile from N-methylpiperazine and p-fluorobenzonitrile was as follows: to a solution of dimethyl sulfoxide (7 mL) containing 4-fluorobenzonitrile (1.0 g, 8.25 mmol) and potassium carbonate (2.27 g, 16.51 mmol) was added 1-methylpiperazine (1.36 mL, 12.38 mmol). The reaction mixture was stirred at room temperature for the reaction. Upon completion of the reaction, the target product 4-(4-methylpiperazin-1-yl)benzonitrile (1.54 g, 93% yield) was obtained by conventional post-processing. The structure of the product was confirmed by 1H-NMR (500 MHz, CDCl3) and ESI-MS: 1H-NMR δ 2.36 (3H, s), 2.55 (4H, t, J = 4.88 Hz), 3.35 (4H, t, J = 4.88 Hz), 6.87 (2H, d, J = 8.78 Hz), 7.49 (2H, d, J = 8.78 Hz); ESI-MS m/z 202.1 ([M+H]+). | [References]
[1] Journal of Medicinal Chemistry, 2005, vol. 48, # 26, p. 8261 - 8269 [2] Patent: WO2005/7625, 2005, A2. Location in patent: Page 63 [3] Phosphorus, Sulfur and Silicon and the Related Elements, 2008, vol. 183, # 5, p. 1252 - 1263 [4] Patent: WO2016/96709, 2016, A1. Location in patent: Page/Page column 50 [5] Patent: US2008/146542, 2008, A1. Location in patent: Page/Page column 36 |
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Cool Pharm, Ltd
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