1-tert-Butylpiperazine Chemical Properties

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

pka

9.27±0.10(Predicted)

form 

Low Melting Solid

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)

Safety Information

Hazard Codes 

C

Risk Statements 

34

Safety Statements 

26-36/37/39-45

RIDADR 

UN3259

HazardClass 

8

HS Code 

2933599590

1-tert-Butylpiperazine Usage And Synthesis

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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