3,5-DI-TERT-BUTYLTOLUENE Chemical Properties

Melting point:

31-32 °C (lit.)

Boiling point:

244 °C (lit.)

Density 

0.86 g/mL at 25 °C (lit.)

refractive index 

n20/D 1.49(lit.)

Flash point:

196 °F

storage temp. 

Sealed in dry,Room Temperature

solubility 

soluble in Methanol

form 

powder to lump to clear liquid

color 

White or Colorless to Light yellow

BRN 

2043032

Safety Information

Risk Statements 

36/37/38

Safety Statements 

23-24/25

WGK Germany 

3

HS Code 

2902900000

MSDS

• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

3,5-DI-TERT-BUTYLTOLUENE Usage And Synthesis

Uses

3,5-Di-tert-butyltoluene was used in the synthesis of 3,5-di-tert-butyl(bromomethyl)benzene. It was also used in the synthesis of di-tert-butylbenzoic acid.

Uses

3,5-Di-tert-butyltoluene was used in the synthesis of 3,5-di-tert-butyl(bromomethyl)benzene. It was also used in the synthesis of di-tert-butylbenzoic acid.

Synthesis

General procedure for the synthesis of 3,5-di-tert-butyltoluene from 3,5-di-tert-butylbenzyl bromide: To a Schlenk flask was added an appropriate amount of complex 6 (0.05 mmol, 5.0 mol%) and the corresponding bromoaromatic (1.0 mmol). The flask was subjected to nitrogen displacement and vacuum cycling. Tetrahydrofuran (THF, 2.0 mL) and diethyl ether solution of tert-butylmagnesium chloride (0.75 mL, 1.5 mmol, 2.0 M in diethyl ether) were subsequently added. The flask was sealed and heated at 70 °C for 24 h or stirred at room temperature. After completion of the reaction, the mixture was cooled and the reaction was quenched by the addition of ammonium chloride (NH4Cl) solution. The mixture was extracted with dichloromethane and the organic layer was dried over anhydrous sodium sulfate (Na2SO4). N-dodecane was added as an internal standard and an aliquot was analyzed by gas chromatography-mass spectrometry (GC-MS). The structure of the coupling product was confirmed by GC-MS and nuclear magnetic resonance (NMR) analysis. The analytical data of the products were in agreement with the literature reports.

References

[1] Journal of Organometallic Chemistry, 2013, vol. 729, p. 53 - 59

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