| Identification | Back Directory | [Name]
2-tert-Butyl-4-chlorophenol | [CAS]
13395-85-2 | [Synonyms]
2-tert-Butyl-4-chlorophenol
4-Chloro-2-tert-butylphenol
2-tert-Butyl-p-chlorophenol
Phenol, 4-chloro-2-(1,1-dimethylethyl)- | [Molecular Formula]
C10H13ClO | [MDL Number]
MFCD16657845 | [MOL File]
13395-85-2.mol | [Molecular Weight]
184.66 |
| Hazard Information | Back Directory | [Synthesis]
Step 1: Synthesis of 2-(tert-butyl)-4-chlorophenol (P19a)
Concentrated hydrochloric acid was added to a mixture of 4-chlorophenol (50 g, 0.39 mol) and tert-butanol (57.6 g, 0.78 mol). Subsequently, sulfuric acid (40 mL) was added and the reaction mixture was stirred at room temperature for 48 hours. After completion of the reaction, the mixture was poured into ice water and extracted twice with ethyl acetate (EA). The organic layers were combined, washed sequentially with water (3 times) and brine, and dried over anhydrous sodium sulfate (Na2SO4). After filtration, the filtrate was concentrated and purified by column chromatography (eluent: petroleum ether/ethyl acetate = 40/1) to afford compound P19a (48.5 g, 68% yield) as a colorless solid. | [References]
[1] Patent: WO2016/25675, 2016, A1. Location in patent: Paragraph 0100
[2] Journal of the American Chemical Society, 2014, vol. 136, # 45, p. 15897 - 15900
[3] Journal of the American Chemical Society, 2016, vol. 138, # 22, p. 7107 - 7113
[4] Patent: WO2013/79223, 2013, A1. Location in patent: Page/Page column 77
[5] European Journal of Inorganic Chemistry, 2013, # 14, p. 2538 - 2548 |
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