5-AMino-2,4-di-tert-butylphenol CAS 873055-58-4

Introduction：Basic information about 5-AMino-2,4-di-tert-butylphenol CAS 873055-58-4, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

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

• Product Name: 5-AMino-2,4-di-tert-butylphenol
• Synonyms: 5-AMino-2,4-di-tert-butylphenol;2,4-Di-tert-butyl-5-aMinophenyl Methyl carbonate;Phenol, 5-amino-2,4-bis(1,1-dimethylethyl)-;4,6-dichloropyridazin-4-ol;5-Amino-2,4-ditertiarybutyphenol;5-Amino-2,4-bis(2-methyl-2-propanyl)phenol;VX-770 intermediate;5-amino-2,4-di-tert-butylphenol hydrochloride (base)
• CAS: 873055-58-4
• MF: C14H23NO
• MW: 221.34
• Mol File: 873055-58-4.mol

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)
• Appearance: Off-white to pink Solid
• 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 Preparation Products And Raw materials

• Raw materials: Carbonic acid, 2,4-bis(1,1-diMethylethyl)phenyl Methyl ester-->Phenol, 2,4-bis(1,1-diMethylethyl)-5-nitro--->2,4-di-tert-butyl-5-nitrophenyl methyl carbonate-->3-ACETAMIDOPHENOL-->3-Aminophenol-->Carbon-->2,4-Di-tert-butylphenol