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38216-72-7

38216-72-7 Structure

38216-72-7 Structure
IdentificationMore
[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 PropertiesBack 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)
Safety DataBack Directory
[Hazard Codes ]

C
[Risk Statements ]

34
[Safety Statements ]

26-36/37/39-45
[HazardClass ]

8
[HS Code ]

2933599590
Hazard InformationBack Directory
[Synthesis Reference(s)]

Tetrahedron Letters, 35, p. 7331, 1994 DOI: 10.1016/0040-4039(94)85306-1
[Synthesis]

2-Chloro-2-methylpropane

507-20-0

piperazinium chloride

7542-23-6

1-tert-Butylpiperazine

38216-72-7

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
Spectrum DetailBack Directory
[Spectrum Detail]

1-tert-Butylpiperazine(38216-72-7)1HNMR
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