945244-29-1
基本信息
2-氟-4-甲基-5-溴苯胺
(5-Bromo-2-fluoro-4-methylphenyl)amine
Benzenamine, 5-bromo-2-fluoro-4-methyl-
4-Amino-2-bromo-5-fluorotoluene, 5-Bromo-2-fluoro-p-toluidine
物理化学性质
| 沸点 | 244℃ |
| 密度 | 1.589 |
| 闪点 | 101℃ |
| 储存条件 | Keep in dark place,Inert atmosphere,Room temperature |
| 酸度系数(pKa) | 2.56±0.10(Predicted) |
| 形态 | 结晶粉末 |
| 颜色 | Creamy goldfaint tan, tiny flakes |
| InChI | 1S/C7H7BrFN/c1-4-2-6(9)7(10)3-5(4)8/h2-3H,10H2,1H3 |
| InChIKey | VPENPNZYTNWJNP-UHFFFAOYSA-N |
| SMILES | CC1=CC(F)=C(C=C1Br)N |
安全数据
| 危险性符号(GHS) | ![]() GHS07 |
| 警示词 | 警告 |
| 危险性描述 | H302+H312+H332-H315-H319-H335 |
| 防范说明 | P280 |
| 海关编码 | 2921420090 |
| 存储类别 | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| 危险性类别 | Acute Tox. 3 Oral |
制备方法
170098-98-3
945244-29-1
步骤b:5-溴-2-氟-4-甲基苯胺的合成 向搅拌的1-溴-4-氟-2-甲基-5-硝基苯(18.0 g,0.230 mol)的乙醇(300 mL)溶液中加入SnCl2·2H2O(51.8 g,0.230 mol)。将反应混合物加热至回流并维持3小时。反应完成后,减压蒸发除去溶剂,得到粗产物。将粗产物溶于冰水中,用饱和NaHCO3水溶液调节pH至7。过滤收集析出的固体,滤液用二氯甲烷(200 mL × 3)萃取。合并有机相,用无水Na2SO4干燥,减压浓缩。残余物通过柱色谱法(洗脱剂:石油醚/EtOAc = 10/1)纯化,得到5-溴-2-氟-4-甲基苯胺(5.0 g,两步收率30%)。 1H NMR (400 MHz, CDCl3) δ 6.96 (d, J = 8.8 Hz, 1H), 6.86 (d, J = 11.6 Hz, 1H), 3.64 (br, 2H), 2.26 (s, 3H). MS (ESI) m/z (M + H+) 204.0.
参考文献:
[1] Patent: WO2013/134298, 2013, A1. Location in patent: Page/Page column 42
[2] Journal of Medicinal Chemistry, 2015, vol. 58, # 10, p. 4165 - 4179
[3] Patent: WO2013/134243, 2013, A1. Location in patent: Page/Page column 9-11
[4] Patent: US2008/9524, 2008, A1. Location in patent: Page/Page column 407
[5] Patent: US2015/231142, 2015, A1. Location in patent: Paragraph 1251
5-BROMO-2-FLUORO-4-METHYLANILINE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 | XW0294524429106 | 5-溴-2-氟-4-甲基苯胺 | 945244-29-1 | 25G | 2361元 |
| 2026/09/15 | XW0294524429105 | 5-溴-2-氟-4-甲基苯胺 | 945244-29-1 | 10G | 1176元 |
| 2026/09/15 | XW0294524429104 | 5-溴-2-氟-4-甲基苯胺 | 945244-29-1 | 5G | 681元 |
