1002309-52-5
中文名称
1-甲基-6-氧代-1,6-二氢吡啶-3-硼酸频那醇酯
英文名称
2(1H)-PYRIDINONE, 1-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-
CAS
1002309-52-5
分子式
C12H18BNO3
分子量
235.09
MOL 文件
1002309-52-5.mol
更新日期
2025/04/27 16:08:42
1002309-52-5 结构式
基本信息
中文别名
1-甲基-1H-吡啶-2-酮-5-硼酸嚬哪醇酯1-甲基-6-氧代-1,6-二氢吡啶-3-硼酸频哪醇酯
1-甲基-6-氧代-1,6-二氢吡啶-3-硼酸频那醇酯
1-甲基-6-氧代-1,6-二氢吡啶-3-基硼酸频哪醇酯
英文别名
N-Methyl-1H-pyridin-2-one-5-boronic acid, pinacol ester1-Methyl-6-oxo-1,6-dihydropyridine-3-boronic Acid Pinacol Ester
1-methyl-6-oxo-1,6-dihydropyridin-3-ylboronic acid pinacol ester
1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
1-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2(1H)-PYRIDINONE
1-Methyl-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)pyridin-2(1H)-one
1-Methyl-5-(tetraMethyl-1,3,2-dioxaborolan-2-yl)-1,2-dihydropyridin-2-one
1-METHYL-5-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-1H-PYRIDIN-2-ONE
2(1H)-PYRIDINONE, 1-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-
1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2(1H)-one 98%
所属类别
化学试剂：硼酸物理化学性质
沸点287.1±50.0 °C(Predicted)
密度1.09±0.1 g/cm3(Predicted)
储存条件Inert atmosphere,Store in freezer, under -20°C
酸度系数(pKa)0.03±0.62(Predicted)
形态solid
颜色Beige
InChIInChI=1S/C12H18BNO3/c1-11(2)12(3,4)17-13(16-11)9-6-7-10(15)14(5)8-9/h6-8H,1-5H3
InChIKeyIJUNZKOKAXJGRQ-UHFFFAOYSA-N
SMILESC1(=O)N(C)C=C(B2OC(C)(C)C(C)(C)O2)C=C1
制备方法
方法1
81971-39-3
73183-34-3
1002309-52-5
以5-溴-1-甲基吡啶-2-酮（200.0 mg，1.06 mmol）和双（频哪醇合）二硼（410.0 mg，1.61 mmol）为原料，加入乙酸钾（270 mg，2.67 mmol）和Pd(dppf)Cl2（80 mg，0.11 mmol）的二恶烷（5 mL）溶液。将反应混合物在100℃下微波加热2小时。反应完成后，将混合物过滤，用水洗涤，并用乙酸乙酯（20 mL×3）萃取。合并有机相，用无水硫酸钠干燥，过滤后浓缩，得到粗产物1-甲基-6-氧代-1,6-二氢吡啶-3-硼酸频哪醇酯（59.0 mg，收率23.6%）。产物经LCMS检测，分子离子峰（M + H）+为236。
参考文献：
[1] Patent: US2015/111885, 2015, A1. Location in patent: Paragraph 0574; 0575
[2] Patent: EP2168965, 2010, A1. Location in patent: Page/Page column 33
[3] Patent: WO2008/8539, 2008, A2. Location in patent: Page/Page column 117-118
[4] Patent: WO2012/3189, 2012, A1. Location in patent: Page/Page column 81
[5] Patent: WO2011/60235, 2011, A1. Location in patent: Page/Page column 22