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

CAS NO.：873055-58-4
Empirical Formula: C14H23NO
Molecular Weight: 221.34
MDL number: MFCD11052607
SAFETY DATA SHEET (SDS)
Update Date: 2025-07-16 09:52:45

What is 5-AMino-2,4-di-tert-butylphenol?

The Uses of 5-AMino-2,4-di-tert-butylphenol

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.).

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

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

Safety information for 5-AMino-2,4-di-tert-butylphenol

Signal word	Warning
Pictogram(s)	Exclamation Mark Irritant GHS07
GHS Hazard Statements	H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation
Precautionary Statement Codes	P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for 5-AMino-2,4-di-tert-butylphenol

InChIKey	BKSDHPHOWDUJNB-UHFFFAOYSA-N
SMILES	C1(O)=CC(N)=C(C(C)(C)C)C=C1C(C)(C)C

New Products

(E)-1-Ethoxyethene-2-boronic Acid Pinacol Ester 1,3-Diethyl-1,3-Diphenylurea 3-(4-morpholinophenylamino)-5-amino-1H-pyrazole-4-carbonitrile Methyl 2-methylquinoline-6-carboxylate 2,4-dihydroxybenzaldehyde 2-((4-morpholinophenylamino) (methylthio) methylene) malononitrile 1,3-Di Iodo Benzene Methyl 2-oxo-2,3-dihydrobenzo[d]oxazole-7-carboxylate 4-(2-Aminoethyl)-7-hydroxy-2H-chromoen-2-one 3-Hydroxy-4-nitrobromobenzene 2-Ethyl-1,4-diaminobenzene 2-Ethylhexyl 4-aminobenzoate Thio Acetamide