| Identification | More | [Name]
3-(TERT-BUTYL)ANILINE | [CAS]
5369-19-7 | [Synonyms]
3-(TERT-BUTYL)ANILINE
BUTTPARK 43\57-25
3-tert-Butylaniline 98%
Benzenamine, 3-(1,1-dimethylethyl)-
3-(T-BUTYL)ANILINE | [EINECS(EC#)]
226-361-6 | [Molecular Formula]
C10H15N | [MDL Number]
MFCD00125078 | [Molecular Weight]
149.23 | [MOL File]
5369-19-7.mol |
| Chemical Properties | Back Directory | [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 | [InChI]
1S/C10H15N/c1-10(2,3)8-5-4-6-9(11)7-8/h4-7H,11H2,1-3H3 | [InChIKey]
DPKTVUKEPNBABS-UHFFFAOYSA-N | [SMILES]
CC(C)(C)c1cccc(N)c1 | [CAS DataBase Reference]
5369-19-7(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [WGK Germany ]
WGK 3 | [Hazard Note ]
Irritant | [HS Code ]
2921490090 | [Storage Class]
11 - Combustible Solids |
| Hazard Information | Back Directory | [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 |
|
| Company Name: |
J & K SCIENTIFIC LTD.
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| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Alfa Aesar
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400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
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| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
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