4-Piperazinobenzonitrile synthesis
- Product Name:4-Piperazinobenzonitrile
- CAS Number:68104-63-2
- Molecular formula:C11H13N3
- Molecular Weight:187.24
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68104-63-2
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Yield:68104-63-2 95%
Reaction Conditions:
with potassium carbonate in butanone for 96 h;Reflux;
Steps:
6.1.1. 4-(Piperazin-1-yl)benzonitrile (4)
A mixture of 4-fluorobenzonitrile (3, 0.36 g, 3 mmol), piperazine (0.64 g, 7.4 mmol) and K2CO3 (0.85 g, 6.1 mmol) in ethylmethylketone (50 mL) was refluxed for 4 days. The completion of reaction was detected by TLC. The solvent was evaporated under reduced pressure and then chloroform and water was added. The organic layer was extracted. After evaporation of chloroform, the residue was crystallized from chloroform to give compound 4 as a cream solid. Yield: 95%; m.p 82-85 °C; IR (KBr, cm-1): 3325, 2215, 1606. 1H NMR (500 MHz, CDCl3): 7.50 (d, 2H, J = 9.2 Hz, phenyl), 6.86 (d, 2H, J = 9.2 Hz, phenyl), 3.29 (t, 4H, J = 5.2 Hz, piperazine), 3.02 (t, 4H, J = 5.2 Hz, piperazine). MS (ESI): 188 [M + H+]. Anal. Calcd for C11H13N3: C, 70.56; H, 7.0; N, 22.44. Found: C, 70.35; H, 6.82; N, 22.73.
References:
Tahghighi, Azar;Marznaki, Farzane Rezazade;Kobarfard, Farzad;Dastmalchi, Siavoush;Mojarrad, Javid Shahbazi;Razmi, Sepideh;Ardestani, Sussan Kabudanian;Emami, Saeed;Shafiee, Abbas;Foroumadi, Alireza [European Journal of Medicinal Chemistry,2011,vol. 46,# 6,p. 2602 - 2608] Location in patent:experimental part
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68104-63-2
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68104-63-2
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