1-(4-甲氧苯基)-2-苄胺基丙烷
1-(4-甲氧苯基)-2-苄胺基丙烷 性质
| 沸点 | 377.8±22.0 °C(Predicted) |
|---|---|
| 密度 | 1.024±0.06 g/cm3(Predicted) |
| 储存条件 | Keep in dark place,Inert atmosphere,Room temperature |
| 溶解度 | 与甲醇、二氯甲烷混溶。与水混溶 |
| 形态 | 油状 |
| 酸度系数(pKa) | 9.54±0.19(Predicted) |
| 颜色 | 淡黄色至黄色液体 |
| InChI | InChI=1S/C17H21NO/c1-14(18-13-16-6-4-3-5-7-16)12-15-8-10-17(19-2)11-9-15/h3-11,14,18H,12-13H2,1-2H3 |
| InChIKey | CVGPWMGXKOKNFD-UHFFFAOYSA-N |
| SMILES | C(C1=CC=C(OC)C=C1)C(NCC1=CC=CC=C1)C |
| LogP | 4.8 |
| CAS 数据库 | 43229-65-8(CAS DataBase Reference) |
1-(4-甲氧苯基)-2-苄胺基丙烷 用途与合成方法
122-84-9
100-46-9
43229-65-8
通用方法：将1-(4-甲氧基苯基)丙-2-酮(8.22 g, 50.0 mmol)和苄胺(5.35 g, 50.0 mmol)溶解于甲醇中，加入5% Pt/C催化剂(0.83 g)。将反应混合物在60°C下搅拌，并进行氢化反应24小时。反应完成后，通过过滤移除催化剂，并通过旋转蒸发除去溶剂，得到中间体N-苄基-1-(4-甲氧基苯基)丙-2-胺，产率为95%。产物经1H NMR (400 MHz, CDCl3)表征：δ 7.25 (ddd, J = 16.5, 11.1, 6.8 Hz, 5H), 7.07 (d, J = 8.5 Hz, 2H), 6.83 (d, J = 8.5 Hz, 2H), 3.86 (d, J = 13.3 Hz, 1H), 3.79 (s, 3H), 3.73 (d, J = 13.3 Hz, 1H), 2.90 (dd, J = 13.0, 6.5 Hz, 1H), 2.71 (dd, J = 13.5, 7.1 Hz, 1H), 2.61 (dd, J = 13.5, 6.4 Hz, 1H), 1.10 (d, J = 6.2 Hz, 3H)。LC/MS (ESI m/z): 256.4 (M + H)+。
参考文献：
[1] Tetrahedron Letters, 1997, vol. 38, # 7, p. 1125 - 1128
[2] Organic Process Research and Development, 1998, vol. 2, # 2, p. 96 - 99
[3] Journal of Medicinal Chemistry, 2007, vol. 50, # 12, p. 2903 - 2915
[4] Bioorganic and Medicinal Chemistry Letters, 2014, vol. 24, # 1, p. 249 - 253
[5] Patent: US2011/313199, 2011, A1. Location in patent: Page/Page column 14
