|
【结 构 式】 
|
【分子编号】55289 【品名】3-(dimethylamino)propanal 【CA登记号】 |
【 分 子 式 】C5H11NO 【 分 子 量 】101.14848 【元素组成】C 59.37% H 10.96% N 13.85% O 15.82% |
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：(IV)The condensation of 1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile (I) with N-(2,3-epoxypropyl)-N,N-dimethylamine (II) by means of LDA in THF gives the addition compound (III), which is then reduced to the target citalopram by means of H2 over Pd/C, Pt/C or Rh/C. Alternatively, the condensation of 1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile (I) with 3-(dimethylamino)propionaldehyde (IV) by means of LDA in THF also gives the intermediate addition compound (III).
| 【1】 Petersen, H. (H. Lundbeck A/S); Method for the preparation of citalopram. WO 0168628 . |
| 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) | 33233 | 1-(4-fluorophenyl)-5-phtalancarbonitrile; 1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile | C15H10FNO | 详情 | 详情 | |
| (II) | 55288 | cyclopropyl-N,N-dimethylmethanamine; N-(cyclopropylmethyl)-N,N-dimethylamine | C6H13N | 详情 | 详情 | |
| (III) | 55290 | 1-[(E)-3-(dimethylamino)-1-propenyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile | C20H19FN2O | 详情 | 详情 | |
| (IV) | 55289 | 3-(dimethylamino)propanal | C5H11NO | 详情 | 详情 |
Extended Information