4-Methyl-3-(trifluoroMethyl)phenol, 97% synthesis
- Product Name:4-Methyl-3-(trifluoroMethyl)phenol, 97%
- CAS Number:1017778-16-3
- Molecular formula:C8H7F3O
- Molecular Weight:176.14
86845-27-4
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$11.00/1g
1017778-16-3
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$87.00/250mg
Yield:1017778-16-3 79%
Reaction Conditions:
with tris-(dibenzylideneacetone)dipalladium(0);potassium hydroxide in 1,4-dioxane;water at 100; for 2.5 h;Inert atmosphere;
Steps:
71.1 Step 1: 4-methyl-3-(trifluoromethyl)phenol:
[00478] To a solution of 4-bromo-1-methyl-2-(trifluoromethyl)benzene (6 g, 25.1 mmol), 2-Di-t-butylphosphino-2',4',6'-tri-i-propyl-1, -biphenyl (848 mg, 2.0 mmol), Pdidbas (4.6 g, 5.0 mmol) and KOH (4.2 g, 75.3 mmol) in dioxane (40 mL) and water (40 mL) under N2. The mixture was stirred at 100 °C for 2.5 h. The reaction was quenched with ice-water, the pH adjusted to 5 with I N HCl aqueous solution, extracted with EtOAc, washed with brine, dried over sodium sulfate, concentrated and purified by chromatography (silica, DCM/petroleum ether=l/2) to afford 4-methyl-3-(trifluoromethyl)phenol (3.5 g, 79 %) as a white solid. ESI-MS (EI+, m/z): No mass
References:
WO2018/191146,2018,A1 Location in patent:Paragraph 00478