| Identification | More | [Name]
2-tert-Butylaniline | [CAS]
6310-21-0 | [Synonyms]
2-TERT-BUTYLANILINE
AKOS BBS-00003572
Aniline, 2-tert-butyl-
2-TERT-BUTYLPHENYLAMINE
2-(1,1-Dimethylethyl)benzenamine
2-tert-Butylbenzenamine | [EINECS(EC#)]
228-634-5 | [Molecular Formula]
C10H15N | [MDL Number]
MFCD00130023 | [Molecular Weight]
149.23 | [MOL File]
6310-21-0.mol |
| Chemical Properties | Back Directory | [Appearance]
clear pale yellow to red-brown liquid | [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.)
| [Fp ]
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 Data | Back Directory | [Hazard Codes ]
Xi,Xn | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [WGK Germany ]
3
| [HS Code ]
29214990 |
| Hazard Information | Back Directory | [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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