211108-50-8
基本信息
1-BOC-3-氟-4-哌啶酮
N-BOC-3-氟-4-哌啶酮
4-BOC-3-氟-哌啶-2-酮
4-叔丁氧羰基-二乙哌啶二酮,3-氟
3-氟-4-氧代哌啶-1-甲酸叔丁酯
1-(叔丁氧羰基)-3-氟-4-哌啶酮
叔丁基 3-氟-4-氧代哌啶-1-甲酸酯
3-Fluoro-4-boc- Piperidinone
1-Boc-3-fluoropiperidin-4-one
1-Boc-3-fluoro-4-oxopiperidine
N-t-BOC-5-Fluoropiperidin-4-one
1-Boc-3-fluoro-4-piperidone, 95%
3-Fluoropiperidin-4-one, N-BOC protected
1-(tert-Butoxycarbonyl)-3-fluoro-4-piperidone
tert-Butyl 3-fluoro-4-oxopiperidin-1-carboxylate
TERT-BUTYL 3-FLUORO-4-OXOPIPERIDINE-1-CARBOXYLATE
物理化学性质
| 熔点 | 88-90℃ |
| 沸点 | 288.7±40.0 °C(Predicted) |
| 密度 | 1.15±0.1 g/cm3(Predicted) |
| 储存条件 | Sealed in dry,Room Temperature |
| 酸度系数(pKa) | -3.61±0.40(Predicted) |
| 形态 | powder to crystal |
| 颜色 | White to Light yellow |
| InChI | InChI=1S/C10H16FNO3/c1-10(2,3)15-9(14)12-5-4-8(13)7(11)6-12/h7H,4-6H2,1-3H3 |
| InChIKey | JZNWQLLPLOQGOI-UHFFFAOYSA-N |
| SMILES | N1(C(OC(C)(C)C)=O)CCC(=O)C(F)C1 |
| CAS 数据库 | 211108-50-8 |
安全数据
| 危险性符号(GHS) | ![]() GHS07 |
| 警示词 | 警告 |
| 危险性描述 | H319 |
| 防范说明 | P305+P351+P338 |
| 危险品标志 | Xi |
| 危险类别码 | 36-52 |
| WGK Germany | 3 |
| 危险等级 | IRRITANT |
| 海关编码 | 2933399990 |
制备方法
211108-48-4
211108-50-8
以叔丁基4-(三甲基硅基氧基)-5,6-二氢吡啶-1(2H)-甲酸酯(25.0 g,0.09 mol)为原料,将其溶于无水乙腈(200 mL)中,搅拌下加入1-(氯甲基)-4-氟-1,4-二氮杂双环[2.2.2]辛烷二四氟硼酸盐(35.8 g,0.101 mol)。反应混合物在室温下搅拌1小时。反应完成后,用乙酸乙酯稀释反应液,随后用水洗涤,无水硫酸钠干燥,减压浓缩除去溶剂。粗产物通过硅胶快速柱色谱法纯化,得到3-氟-4-氧代哌啶-1-甲酸叔丁酯,为灰白色固体,收率73%(8.1 g)。产物经LCMS分析(方法C):m/z 118.2(M-Boc + H),保留时间2.53分钟,纯度96.5%(ELSD)。1H NMR(400 MHz,DMSO-d6)δ:4.92-4.89(m,1H),4.76-4.73(m,1H),4.21-4.17(m,1H),3.30-3.20(m,2H),2.60-2.45(m,2H),1.47(s,9H)。
参考文献:
[1] Patent: WO2008/124323, 2008, A1. Location in patent: Page/Page column 40
[2] Journal of Medicinal Chemistry, 1998, vol. 41, # 15, p. 2667 - 2670
[3] Journal of Medicinal Chemistry, 1999, vol. 42, # 12, p. 2087 - 2104
[4] Patent: WO2013/96744, 2013, A1. Location in patent: Page/Page column 223
[5] Patent: US2006/258721, 2006, A1. Location in patent: Page/Page column 74; 75
3-氟-4-氧代哌啶-1-甲酸叔丁酯价格(试剂级)
| 报价日期 | 产品编号 | 产品名称 | CAS号 | 包装 | 价格 |
| 2026/09/15 | XW0221110850802 | 3-氟-4-氧代哌啶-1-甲酸叔丁酯 | 211108-50-8 | 1G | 28元 |
| 2026/09/15 | B4858 | 1-(叔丁氧羰基)-3-氟-4-哌啶酮 1-(tert-Butoxycarbonyl)-3-fluoro-4-piperidone | 211108-50-8 | 1g | 120元 |
| 2026/07/06 | 44651 | 3-氟-4-氧代哌啶-1-甲酸叔丁酯 3-Fluoro-4-oxopiperidine-1-carboxylic acid tert-butyl ester, 97%, Thermo Scientific Chemicals | 211108-50-8 | 1g | 3003元 |
