5-AMino-2,4-di-tert-butylphenol Chemical Properties

Boiling point:

319.7±30.0 °C(Predicted)

Density 

0.990±0.06 g/cm3(Predicted)

storage temp. 

2-8°C(protect from light)

pka

11.63±0.23(Predicted)

InChI

InChI=1S/C14H23NO/c1-13(2,3)9-7-10(14(4,5)6)12(16)8-11(9)15/h7-8,16H,15H2,1-6H3

InChIKey

BKSDHPHOWDUJNB-UHFFFAOYSA-N

SMILES

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

5-AMino-2,4-di-tert-butylphenol Usage And Synthesis

Uses

5-Amino-2,4-di-tert-butylphenol is an intermediate used in the preparation of ivacaftor via condensation of oxo dihydroquinoline carboxylic acid with amino ditert butylphenol.

Synthesis

To a refluxing solution of 2,4-di-tert-butyl-5-nitro-phenol (1.86 g, 7.40 mmol) and ammonium formate (1.86 g) in ethanol (75 mL) was added Pd-5% wt on activated carbon (900 mg). The reaction mixture was stirred at reflux for 2 h, cooled to room temperature, and filtered through Celite. The Celite was washed with methanol, and the combined filtrates were concentrated to yield 5-amino-2,4-di-tert-butyl-phenol as a grey solid (1.66 g, quant.).

5-AMino-2,4-di-tert-butylphenol(873055-58-4)Related Product Information

• 2,4-di-tert-butyl-5-nitrophenyl methyl carbonate
• 4-HYDROXY-QUINOLINE-3-CARBOXYLIC ACID METHYL ESTER
• Phenol, 2,4-bis(1,1-diMethylethyl)-5-nitro-
• 2-PHENYLAMINOMETHYLENE-MALONIC ACIDDIETHYL ESTER
• 4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID
• VX-770