2-tert-Butylaniline Chemical Properties

Melting point:

-60 °C (lit.)

Boiling point:

123-124 °C/17 mmHg (lit.)

Density 

0.957 g/mL at 25 °C (lit.)

refractive index 

n20/D 1.545(lit.)

Flash point:

216 °F

storage temp. 

Keep in dark place,Sealed in dry,Room Temperature

solubility 

Chloroform (Slightly), Methanol (Slightly)

form 

Liquid

pka

3.78±0.10(Predicted)

color 

Clear pale yellow to red-brown

InChI

InChI=1S/C10H15N/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7H,11H2,1-3H3

InChIKey

AEIOZWYBDBVCGW-UHFFFAOYSA-N

SMILES

C1(N)=CC=CC=C1C(C)(C)C

CAS DataBase Reference

6310-21-0(CAS DataBase Reference)

NIST Chemistry Reference

Benzenamine, 2-(1,1-dimethylethyl)-(6310-21-0)

Safety Information

Hazard Codes 

Xi,Xn

Risk Statements 

36/37/38-20/21/22

Safety Statements 

26-37/39-36/37/39

WGK Germany 

3

HS Code 

29214990

MSDS

• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS

2-tert-Butylaniline Usage And Synthesis

Chemical Properties

clear pale yellow to red-brown liquid

Uses

2-tert-Butylaniline may be used in the preparation of 2,3-bis(2-tert-butyl-phenyl-imino)butane. It may be used in the preparation of two rotamers, anti- and syn-N,N′-bis-(2-tert-butylphenyl)naphthalene-1,4,5,8-tetracarboxylic diimides and their guest inclusion abilities were investigated.

General Description

2-tert-Butylaniline is a sterically hindered aniline. 2-tert-Butylaniline participates in chemo- and regioselective copper-catalyzed cross-coupling reaction for the effective amination of 2-chlorobenzoic acids.

Synthesis

1. Aniline (1118 g, 0.012 mol), methyl tert-butyl ether (0.48 mol) and commercially available montmorillonite (3.83 g) were weighed into a 100 mL autoclave. 2. The autoclave was subjected to five successive displacements using nitrogen to ensure an oxygen-free reaction environment. 3. The reaction mixture was heated to 165 °C and mechanical stirring was initiated at a set stirring speed of 900 rpm. 4. Keep the reaction temperature within ±1°C of the set value for 4 hours. 5. Upon completion of the reaction, turn off the heating and stirring and allow the reaction mixture to cool naturally to room temperature. 6. remove the catalyst by centrifugation. 7. 7. Finally, the product was purified by distillation and chromatography to give O-tert-butylaniline with 98% purity.

References

[1] Patent: CN105218381, 2016, A. Location in patent: Paragraph 0012; 0013; 0014

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