81560-03-4
中文名稱
5-溴-2-(甲硫基)-4(1氫)-嘧啶酮
英文名稱
5-bromo-2-methylsulfanyl-3H-pyrimidin-4-one
CAS
81560-03-4
分子式
C5H5BrN2OS
分子量
221.07
MOL 文件
81560-03-4.mol
更新日期
2026/07/27 09:58:34
81560-03-4 結(jié)構(gòu)式
基本信息
中文別名
2-甲巰基-4-羥基-5-溴嘧啶2-甲硫基-4-羥基-5-溴嘧啶
2-甲硫基-4-羥基-5-溴嘧啶 1G
5-溴-2-(甲硫基)嘧啶-4(3H)-酮
5-溴-2-(甲硫基)-4(1氫)-嘧啶酮
5-溴-2-(甲硫基)-4(1H)-嘧啶酮
5-溴-2-(甲巰基)--4(1H)-嘧啶酮
5-溴-2-(甲硫基)-4(1氫)-嘧啶酮5-BROMO-2-(METHYLSULFANYL)-4(1H)-PYRIMIDINONE
英文別名
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(3H)-one
5-Bromo-2-(methylthio)pyrimidin-4(1H)-one
5-bromo-2-methylsulfanyl-3H-pyrimidin-4-one
5-bromo-2-methylsulfanyl-1h-pyrimidin-6-one
4(3H)-Pyrimidinone, 5-bromo-2-(methylthio)-
所屬類別
醫(yī)藥中間體：溴嘧啶物理化學(xué)性質(zhì)
熔點(diǎn)239 °C (decomp)(Solv: ethanol (64-17-5))
密度1.88±0.1 g/cm3(Predicted)
儲存條件Sealed in dry,Room Temperature
酸度系數(shù)(pKa)6.03±0.50(Predicted)
外觀White to off-white Solid
制備方法
方法1
5751-20-2
81560-03-4
步驟2，制備5-溴-2-(甲硫基)嘧啶-4(3H)-酮：將142g 2-甲硫基-4-嘧啶酮溶解于500mL二氯甲烷中，加入190g N-溴代琥珀酰亞胺(NBS)，加熱回流反應(yīng)6小時。反應(yīng)完成后，將反應(yīng)混合物冷卻至室溫，過濾除去不溶物。用適量二氯甲烷洗滌濾餅，合并有機(jī)相，用無水硫酸鈉干燥。干燥后的有機(jī)相在冰浴條件下進(jìn)行重結(jié)晶，得到190g淺黃色固體產(chǎn)物，收率為87%。
參考文獻(xiàn)：
[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