4-氟-7-硝基苯并-2-氧杂-1,3-二唑
4-氟-7-硝基苯并-2-氧杂-1,3-二唑
4-氟-7-硝基苯并-2-氧杂-1,3-二唑 性质
| 熔点 | 52-54 °C(lit.) |
|---|---|
| 沸点 | 308.6±45.0 °C(Predicted) |
| 密度 | 1.6753 (estimate) |
| 闪点 | >230 °F |
| 储存条件 | Inert atmosphere,Store in freezer, under -20°C |
| 溶解度 | 溶于DMSO、DMF、CH3OH、CH3CN和CHCl3。 |
| 形态 | 结晶块 |
| 酸度系数(pKa) | -5.59±0.50(Predicted) |
| 颜色 | 棕色 |
| BRN | 1077571 |
| InChI | InChI=1S/C6H2FN3O3/c7-3-1-2-4(10(11)12)6-5(3)8-13-9-6/h1-2H |
| InChIKey | PGZIDERTDJHJFY-UHFFFAOYSA-N |
| SMILES | N1=C2C([N+]([O-])=O)=CC=C(F)C2=NO1 |
| CAS 数据库 | 29270-56-2(CAS DataBase Reference) |
4-氟-7-硝基苯并-2-氧杂-1,3-二唑 用途与合成方法
As the percentage of the organic phase changes, the retention time of NBD-F remains relatively stable, while the retention times of the derivatization products changes. The pH of the mobile phase affects the separation of the NBD-F and the derivatization products. NBD-F is a fluorescent derivatization reagent that is originally developed for amino acid analysis, and recently applied to the analysis of other amino acid derivatives such as N-methyl-D-aspartic acid and glutathione. The use of NBD-F appears to have several advantages in that the derivatization procedure is simple and its derivatives are highly stable.
29270-55-1
29270-56-2
以4-氟-2,1,3-苯并恶二唑为原料合成4-氟-7-硝基-2,1,3-苯并恶二唑的一般步骤：将4-氟-2,1,3-苯并恶二唑（1.00g，7.24mmol）溶于浓H2SO4（8mL）中，冷却至-10℃。在搅拌下，缓慢滴加硝化混合物（H2SO4:HNO3，3:1，2.40mL）。保持反应温度在-10℃，继续搅拌1小时。通过TLC和LCMS监测反应进度。反应完成后，将反应混合物用H2O（250mL）淬灭，并用EtOAc（2×250mL）萃取。合并有机层，用无水Na2SO4干燥，减压浓缩。粗产物通过快速柱色谱法（洗脱剂：己烷中0至10% EtOAc梯度）纯化，得到4-氟-7-硝基-2,1,3-苯并恶二唑（0.39g，黄色固体），产率30%。1H NMR（400MHz，DMSO-d6）δ 7.70（d，J=8.40Hz，1H），8.77-8.80（m，1H）。
参考文献：
[1] Journal of the American Chemical Society, 2016, vol. 138, # 48, p. 15596 - 15604
[2] Patent: WO2018/122232, 2018, A1. Location in patent: Page/Page column 213
[3] Tetrahedron Letters, 2011, vol. 52, # 20, p. 2533 - 2535
安全信息
| 危险品标志 | Xi |
|---|---|
| 危险类别码 | 36/38 |
| 安全说明 | 26-36-39 |
| WGK Germany | 3 |
| F | 10-21 |
| 海关编码 | 29349990 |
| 存储类别 | 11 - 可燃固体 |
| 危险性类别 | 眼部刺激 类别2 经皮刺激 类别2 |
4-氟-7-硝基苯并-2-氧杂-1,3-二唑 价格(试剂级)
| 更新日期 | 产品编号 | 产品名称 | CAS号 | 包装 | 价格 |
|---|---|---|---|---|---|
| 2025-12-22 | HY-D0785 | 4-氟-7-硝基苯并-2-氧杂-1,3-二唑 | 29270-56-2 | 50mg | 600 |
| 2025-12-22 | HY-D0785 | 4-氟-7-硝基苯并-2-氧杂-1,3-二唑 | 29270-56-2 | 100mg | 1046 |
