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4-isopropoxy-3-(trifluoroMethyl)benzoic acid synthesis
- Product Name:4-isopropoxy-3-(trifluoroMethyl)benzoic acid
- CAS Number:213598-16-4
- Molecular formula:C11H11F3O3
- Molecular Weight:248.2
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1035217-13-0
5 suppliers
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213598-16-4
36 suppliers
$35.00/100mg
Yield:213598-16-4 96%
Reaction Conditions:
Stage #1: 4-isopropoxy-3-(trifluoromethyl)benzonitrilewith water;sodium hydroxide in ethanol at 80; for 18 h;
Stage #2: with hydrogenchloride in water;
Steps:
1.1.B
To a solution of 4-isopropoxy-3-(trifluoromethyl)benzonitrile (183 g, 798 mmol) in EtOH (1 L) was added 5 N NaOH (559 mL, 2.80 mol). The reaction mixture was heated to 80 °C for 18 h. Volatiles were removed in vacuo and 3 N HCl was added until the mixture was acidic. A precipitate formed that was collected by vacuum filtration. The solid was washed with water and hexanes. The solid was dissolved in EtOAc and dried over MgS04 to give 4-isopropoxy-3- (trifluoromethyl)benzoic acid (191 g, 770 mmol, 96% yield) as a white solid. Exact mass calculated for 248.1, found: LCMS m/z = 249.3, [M+H+]; lU NMR (400 MHz, CDC13) δ ppm 1.41 (d, = 6.0 Hz, 6 H), 4.76 (sep, = 6.0 Hz, 1 H), 7.05 (d, = 8.8 Hz, 1 H), 8.22 (dd, Jx = 8.8, J2 = 2.2 Hz, 1 H), 8.33 (d, = 2.0 Hz, 1 H).
References:
WO2011/109471,2011,A1 Location in patent:Page/Page column 111
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1034188-33-4
2 suppliers
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213598-16-4
36 suppliers
$35.00/100mg
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67515-55-3
215 suppliers
$10.00/1g
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67-63-0
1588 suppliers
$17.00/25ML
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213598-16-4
36 suppliers
$35.00/100mg
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67515-59-7
213 suppliers
$9.00/1g
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213598-16-4
36 suppliers
$35.00/100mg
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220239-68-9
100 suppliers
$9.00/250mg
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213598-16-4
36 suppliers
$35.00/100mg