ChemicalBook--->CAS DataBase List--->126538-81-6

126538-81-6

126538-81-6 Structure

126538-81-6 Structure
IdentificationBack Directory
[Name]

5-broMo-6-(trifluoroMethyl)pyriMidin-4-ol
[CAS]

126538-81-6
[Synonyms]

5-broMo-6-(trifluoroMethyl)pyriMidin-4-ol
5-Bromo-6-(trifluoromethyl)-4-pyrimidinone
5-Bromo-6-trifluoromethyl-3H-pyrimidin-4-one
5-BroMo-6-(trifluoroMethyl)pyriMidin-4(1H)-one
5-bromo-6-(trifluoromethyl)-4(3H)-Pyrimidinone
5-bromo-4-(trifluoromethyl)-1H-pyrimidin-6-one
5-bromo-6-(trifluoromethyl)pyrimidin-4(3H)-one
4(3H)-Pyrimidinone, 5-bromo-6-(trifluoromethyl)-
4(1H)-pyrimidinone, 5-bromo-6-(trifluoromethyl)-
[Molecular Formula]

C5H2BrF3N2O
[MDL Number]

MFCD09901776
[MOL File]

126538-81-6.mol
[Molecular Weight]

242.98
Chemical PropertiesBack Directory
[storage temp. ]

2-8°C
[Appearance]

white solid
Spectrum DetailBack Directory
[Spectrum Detail]

5-broMo-6-(trifluoroMethyl)pyriMidin-4-ol(126538-81-6)1HNMR
Hazard InformationBack Directory
[Synthesis]

4-Hydroxy-6-(trifluoromethyl)pyrimidine

1546-78-7

5-broMo-6-(trifluoroMethyl)pyriMidin-4-ol

126538-81-6

General procedure for the synthesis of 5-bromo-6-trifluoromethylpyrimidin-4-one from 6-trifluoromethyl-4-hydroxypyrimidine: To a solution of acetic acid (2 mL) containing 8-(bromomethyl)pyrido[2,3-d]pyridazin-5(6H)-one (0.3 g, 1.8 mmol) was added CH3COOK (0.54 g, 5.5 mmol). Subsequently, a solution of bromine (Br2) in acetic acid (1 mL) was added dropwise to the reaction mixture. The reaction mixture was heated to 80 °C and stirred overnight. Upon completion of the reaction, the mixture was cooled to room temperature, diluted with ethyl acetate (EtOAc), washed sequentially with water and brine, dried over anhydrous sodium sulfate (Na2SO4), and finally the target product, 5-bromo-6-(trifluoromethyl)-4(3H)-pyrimidinedione (0.3 g), was obtained by evaporation of the solvent.

[References]

[1] European Journal of Organic Chemistry, 2004, # 17, p. 3714 - 3718
[2] Patent: WO2014/58747, 2014, A1. Location in patent: Page/Page column 61
[3] Patent: WO2015/153304, 2015, A1. Location in patent: Page/Page column 25
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