ChemicalBook--->CAS DataBase List--->34334-28-6

34334-28-6

34334-28-6 Structure

34334-28-6 Structure
IdentificationBack 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 PropertiesBack 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
Safety DataBack Directory
[Symbol(GHS) ]

GHS hazard pictogramsGHS hazard pictograms
GHS06,GHS08
[Signal word ]

Danger
[Hazard statements ]

H301-H312+H332-H319-H341
[Precautionary statements ]

P501-P261-P270-P202-P201-P271-P264-P280-P308+P313-P337+P313-P305+P351+P338-P362+P364-P301+P310+P330-P302+P352+P312-P304+P340+P312-P405
Spectrum DetailBack Directory
[Spectrum Detail]

4-(4-METHYL-PIPERAZIN-1-YL)BENZONITRILE(34334-28-6)1HNMR
Hazard InformationBack Directory
[Synthesis]

1-Methylpiperazine

109-01-3

4-Fluorobenzonitrile

1194-02-1

4-(4-METHYL-PIPERAZIN-1-YL)BENZONITRILE

34334-28-6

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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