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| | 1-Boc-(4-benzyl)piperazine Basic information |
| | 1-Boc-(4-benzyl)piperazine Chemical Properties |
| Melting point | 71-73 °C(lit.) | | Boiling point | 362.5±35.0 °C(Predicted) | | density | 1.087±0.06 g/cm3(Predicted) | | storage temp. | 2-8°C | | pka | 6.50±0.10(Predicted) | | Appearance | Off-white to light yellow Solid | | BRN | 797033 | | InChI | 1S/C16H24N2O2/c1-16(2,3)20-15(19)18-11-9-17(10-12-18)13-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3 | | InChIKey | GVHSMUYEAWMYLM-UHFFFAOYSA-N | | SMILES | CC(C)(C)OC(=O)N1CCN(CC1)Cc2ccccc2 | | CAS DataBase Reference | 57260-70-5(CAS DataBase Reference) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-37/39 | | WGK Germany | 3 | | HS Code | 2933599590 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | 1-Boc-(4-benzyl)piperazine Usage And Synthesis |
| General Description | 1-Boc-(4-benzyl)piperazine is an heterocyclic building block. | | Synthesis | To a stirred solution of N-BOC-piperazine (6.0 g, 33.0 mmol, 1.0 eq.) in acetonitrile (60 mL), the reaction mixture was cooled to 0°C. Subsequently, triethylamine (22 mL, 161 mmol, 5.0 eq.) and benzyl bromide (6.0 mL, 35.0 mmol, 1.1 eq.) were added slowly and dropwise. The reaction mixture was stirred continuously for about 6 hours at room temperature. After completion of the reaction, the mixture was diluted with water and extracted with dichloromethane (CH2Cl2). The organic phases were combined, dried over anhydrous sodium sulfate (Na2SO4), filtered and concentrated under reduced pressure to afford the target product 1-benzyl-4-Boc-piperazine (6.5 g, 76.0% yield) as a white solid. | | References | [1] Synthetic Communications, 2009, vol. 39, # 13, p. 2297 - 2303
[2] Patent: WO2017/17630, 2017, A1. Location in patent: Page/Page column 34-35
[3] Journal of Medicinal Chemistry, 2010, vol. 53, # 4, p. 1830 - 1842
[4] Patent: WO2017/58716, 2017, A1. Location in patent: Paragraph 00268
[5] Journal of Heterocyclic Chemistry, 2010, vol. 47, # 1, p. 54 - 62 |
| | 1-Boc-(4-benzyl)piperazine Preparation Products And Raw materials |
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