| Identification | Back Directory | [Name]
5-bromo-2-methylsulfanyl-3H-pyrimidin-4-one | [CAS]
81560-03-4 | [Synonyms]
pyrimidin-4(3H)
5-Bromo-2-(methylthio)
5-Bromo-2-(methylsulfanyl...
2-Methylsulfanyl-5-bromopyrimidin-4-
one
5-bromo-2-(methylthio)-4(3H)-Pyrimidinone
5-Bromo-2-(methylthio)pyrimidin-4(1H)-one
5-Bromo-2-(methylthio)pyrimidin-4(3H)-one
5-bromo-2-methylsulfanyl-1h-pyrimidin-6-one
5-bromo-2-methylsulfanyl-3H-pyrimidin-4-one
4(3H)-Pyrimidinone, 5-bromo-2-(methylthio)-
5-Bromo-2-(methylsulfanyl)-4(1H)-pyrimidinone
5-broMo-2-(Methylsulfanyl)-1,4-dihydropyriMidin-4-one
5-bromo-2-(methylsulfanyl)-3,4-dihydropyrimidin-4-one
5-bromo-2-methylsulfanyl-3H-pyrimidin-4-one ISO 9001：2015 REACH | [Molecular Formula]
C5H5BrN2OS | [MDL Number]
MFCD00223721 | [MOL File]
81560-03-4.mol | [Molecular Weight]
221.07 |
| Chemical Properties | Back Directory | [Melting point ]
239 °C (decomp)(Solv: ethanol (64-17-5)) | [density ]
1.88±0.1 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [pka]
6.03±0.50(Predicted) | [Appearance]
White to off-white Solid |
| Hazard Information | Back Directory | [Synthesis]
Step 2, Preparation of 5-bromo-2-(methylthio)pyrimidin-4(3H)-one: 142 g of 2-methylthio-4-pyrimidinone was dissolved in 500 mL of dichloromethane, 190 g of N-bromosuccinimide (NBS) was added, and the reaction was heated and refluxed for 6 hours. After completion of the reaction, the reaction mixture was cooled to room temperature and filtered to remove insoluble material. The filter cake was washed with an appropriate amount of dichloromethane, and the organic phases were combined and dried with anhydrous sodium sulfate. The dried organic phase was recrystallized under ice bath conditions to give 190 g of light yellow solid product in 87% yield. | [References]
[1] Patent: CN107488175, 2017, A. Location in patent: Paragraph 0008; 0010
[2] Acta Chemica Scandinavica, Series B: Organic Chemistry and Biochemistry, 1982, vol. 36, # 1 B, p. 15 - 18
[3] Patent: US6653316, 2003, B1. Location in patent: Page/Page column 117-118
[4] Patent: WO2005/99688, 2005, A2. Location in patent: Page/Page column 173
[5] Journal of the American Chemical Society, 1948, vol. 70, p. 1753,1755 |
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