3-(Tert-butyl)aniline Chemical Properties

Boiling point:

140 °C

Density 

0.942±0.06 g/cm3(Predicted)

refractive index 

1.5390-1.5430

storage temp. 

under inert gas (nitrogen or Argon) at 2–8 °C

form 

clear liquid

pka

4.69±0.10(Predicted)

color 

Light orange to Yellow to Green

InChIKey

DPKTVUKEPNBABS-UHFFFAOYSA-N

CAS DataBase Reference

5369-19-7(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi,Xn

Risk Statements 

20/21/22-36/37/38-22

Safety Statements 

26-36/37/39

Hazard Note 

Irritant

HS Code 

2921490090

MSDS

• Language:English Provider:ALFA

3-(Tert-butyl)aniline Usage And Synthesis

Uses

3-(Tert-butyl)aniline is an important pharmaceutical and pesticide intermediate. The meta-tert-butylphenol obtained by acidification and other steps can be used as a synthetic raw material for the fungicide etoxazole and the antioxidant anoxazole.

Synthesis

General procedure: hydrazine hydrate (10 mmol) was added to a mixture of 1-bromo-4-(tert-butyl)-2-nitrobenzene (1 mmol), 10% Pd/C catalyst, and methanol (5 mL). The reaction mixture was placed in a Biotage Initiator Classic microwave synthesizer and heated at 120°C for 15 minutes. Upon completion of the reaction, the mixture was filtered to remove the catalyst and the filtrate was concentrated under reduced pressure. The crude product was purified by fast column chromatography using hexane and ethyl acetate as eluents to give 3-tert-butylaniline.

References

[1] Tetrahedron Letters, 2000, vol. 41, # 21, p. 4065 - 4068
[2] Synlett, 2014, vol. 25, # 10, p. 1403 - 1408

3-(Tert-butyl)aniline(5369-19-7)Related Product Information

• 4-tert-Butyl-2-iodo-aniline
• 2-(TERT-BUTYL)ANILINE HYDROCHLORIDE, TECH
• N1,N1-dimethyl-2,4,6-tri(tert-butyl)aniline
• 4-BROMO-N-(TERT-BUTYL)ANILINE
• 2,4,6-TRI-TERT-BUTYLANILINE
• 2,6-DIBROMO-4-TERT-BUTYL ANILINE
• 2-tert-Butylaniline
• N1-methyl-2,4,6-tri(tert-butyl)aniline
• 2-(TERT-BUTYL)ANILINE HYDROCHLORIDE
• 2,5-DI-TERT-BUTYLANILINE
• N1-(4,4-diethyl-5-methylidene-1,3-thiazolan-2-yliden)-4-(tert-butyl)aniline
• 4-tert-Butylaniline
• 3,5-DI-TERT-BUTYLANILINE