ChemicalBook CAS DataBase List Phenol, 2,4-bis(1,1-diMethylethyl)-5-nitro-

Phenol, 2,4-bis(1,1-diMethylethyl)-5-nitro- synthesis

6synthesis methods

Product Name:Phenol, 2,4-bis(1,1-diMethylethyl)-5-nitro-
CAS Number:873055-57-3
Molecular formula:C14H21NO3
Molecular Weight:251.32

2,4-di-tert-butyl-5-nitrophenyl methyl carbonate

873055-55-1
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Phenol, 2,4-bis(1,1-diMethylethyl)-5-nitro-

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Yield: 98%

Reaction Conditions:

with sodium hydroxide in methanol;water at 20; for 5 h;

Steps:

1 Preparation of Compound 4 (2,4-di-tert-butyl-5-nitrophenol)
To a stirred solution of compound 3 (3.0 g, 9.7 mmol) in MeOH (20 mL) was added NaOH (776 mg, 19.4 mmol) dissolved in H₂O (5 mL), and the reaction mixture was stirred at room temperature for 5 h and acidified with aq.2N HCl to pH 2-3. The resulting precipitate was collected by suction filtration. The desired regioisomer, compound 4 (2.4 g, 98%) was obtained as pale yellow solid and used in the next step after drying under high vacuum. ¹H NMR (400 MHz, CDCl₃) δ7.42 (s, 1H), 6.69 (s, 1H), 5.20 (s, 1H), 1.41 (s, 9H), 1.38 (s, 9H).

References:

ORPHOMED, INC.;SINGH, Nikhilesh Nihala US2021/9556, 2021, A1 Location in patent:Paragraph 0057; 0060

96-76-4 Synthesis