Identification | More | [Name]
1-tert-Butylpiperazine | [CAS]
38216-72-7 | [Synonyms]
1-T-BUTYLPIPERAZINE N-T-BUTYLPIPERAZINE N-TERT-BUTYLPIPERAZINE | [Molecular Formula]
C8H18N2 | [MDL Number]
MFCD00049359 | [Molecular Weight]
142.24 | [MOL File]
38216-72-7.mol |
Chemical Properties | Back Directory | [Melting point ]
32-35℃ | [Boiling point ]
85-87℃/22mm | [density ]
0.890±0.06 g/cm3(Predicted) | [storage temp. ]
under inert gas (nitrogen or Argon) at 2–8 °C | [form ]
Low Melting Solid | [pka]
9.27±0.10(Predicted) | [color ]
Colorless to yellow | [Sensitive ]
Light, Air & Moisture Sensitive | [InChI]
InChI=1S/C8H18N2/c1-8(2,3)10-6-4-9-5-7-10/h9H,4-7H2,1-3H3 | [InChIKey]
PVMNSAIKFPWDQG-UHFFFAOYSA-N | [SMILES]
N1(C(C)(C)C)CCNCC1 | [CAS DataBase Reference]
38216-72-7(CAS DataBase Reference) |
Hazard Information | Back Directory | [Synthesis Reference(s)]
Tetrahedron Letters, 35, p. 7331, 1994 DOI: 10.1016/0040-4039(94)85306-1 | [Synthesis]
General procedure for the synthesis of N-tert-butylpiperazine from chlorinated tert-butane and compound (CAS:7542-23-6): 20 mmol of compound (1) and 150 mL of tetrahydrofuran were added to a 250 mL round bottom flask. A 50 mL acetonitrile solution of 20 mmol of tert-butyl chloride was slowly added dropwise with stirring at room temperature. The dropwise addition process was completed in about 2 hours. Stirring of the reaction mixture was continued for 2 hours. It was then heated to reflux and stirred for 5 h. After completion of the reaction, the reaction was cooled to room temperature, filtered, and the solid was washed with 10 mL of tetrahydrofuran and dried to give mono-substituted piperazinic acid dihydrochloride (5) (R=tert-butyl). The compound (5) was transferred to a 250 mL round bottom flask and 200 mL of tetrahydrofuran and an appropriate amount of base was added. The reaction was heated to reflux for 4 hours under stirring. After completion of the reaction, it was cooled to room temperature, filtered, and the filtrate was evaporated by solvent to remove the low-boiling components, and the product was collected by distillation to afford the light yellow oily liquid N-tert-butylpiperazine (6) (R=tert-butyl) in 92% yield (based on the amount of tert-butyl chloride fed). | [References]
[1] Patent: CN106083761, 2016, A. Location in patent: Paragraph 0024; 0025 |
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