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【结 构 式】 
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【分子编号】60650 【品名】3-[(1R)-5-bromo-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]-N,N-dimethyl-1-propanamine; N-{3-[(1R)-5-bromo-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]propyl}-N,N-dimethylamine 【CA登记号】 |
【 分 子 式 】C19H21BrFNO 【 分 子 量 】378.2842832 【元素组成】C 60.33% H 5.6% Br 21.12% F 5.02% N 3.7% O 4.23% |
与该中间体有关的原料药合成路线共 1 条
合成路线1
该中间体在本合成路线中的序号：(II)Racemic 5-bromo-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran (I) is submitted to optical resolution by chiral chromatography to give the corresponding (S)-isomer (II), which is treated with Zn(CN)2 and Pd(PPh3)4 to afford the target Escitalopram.
| 【1】 Pedersen, H.; Petersen, H.; Lee, J.; Bech Sommer, M.; Nielsen, O.; Ahmadian, H.; Broesen, P.; Geiser, F.; Cox, G.; Dapremont, O.; Suteu, C.; Assenza, S.P.; Hariharan, S.; Nair, U. (H. Lundbeck A/S); Method for the preparation of escitalopram. WO 0306449 . |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (I) | 37605 | 5-bromo-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran; N-[3-[5-bromo-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]propyl]-N,N-dimethylamine; 3-[5-bromo-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]-N,N-dimethyl-1-propanamine | C19H21BrFNO | 详情 | 详情 | |
| (II) | 60650 | 3-[(1R)-5-bromo-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]-N,N-dimethyl-1-propanamine; N-{3-[(1R)-5-bromo-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]propyl}-N,N-dimethylamine | C19H21BrFNO | 详情 | 详情 |
Extended Information