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【结 构 式】 
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【分子编号】34863 【品名】N-(2-methyl-3-nitrophenethyl)-N,N-dipropylamine; N-(2-methyl-3-nitrophenethyl)-N-propyl-1-propanamine 【CA登记号】 |
【 分 子 式 】C15H24N2O2 【 分 子 量 】264.36784 【元素组成】C 68.15% H 9.15% N 10.6% O 12.1% |
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 2-(2-methyl-3-nitrophenyl)acetic acid (I) with dipropylamine (II) by means of refluxing SOCl2 gives the corresponding amide (III), which is reduced with borane/THF yielding the tertiary amine (IV). The condensation of (IV) with diethyl oxalate by means of sodium ethoxide in refluxing ethanol affords the pyruvate ester (V), which is treated with NaOH and H2O2 yielding the acetic acid derivative (VI). Finally, this compound is cyclyzed by hydrogenation with H2 over Pd/C in ethanol.
| 【1】 Gallagher, G. Jr. (SmithKline Beecham Corp.); 4-Aminoalkyl-2(3H)-indolones. EP 0113964; ES 8600239; ES 8604143; US 4452808 . |
| 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) | 34861 | 2-(2-methyl-3-nitrophenyl)acetic acid | C9H9NO4 | 详情 | 详情 | |
| (II) | 21856 | N,N-dipropylamine; N-propyl-1-propanamine | 142-84-7 | C6H15N | 详情 | 详情 |
| (III) | 34862 | 2-(2-methyl-3-nitrophenyl)-N,N-dipropylacetamide | C15H22N2O3 | 详情 | 详情 | |
| (IV) | 34863 | N-(2-methyl-3-nitrophenethyl)-N,N-dipropylamine; N-(2-methyl-3-nitrophenethyl)-N-propyl-1-propanamine | C15H24N2O2 | 详情 | 详情 | |
| (V) | 17571 | Diethyl oxalate; Ethyl 2-ethoxy-2-oxoacetate | 95-92-1 | C6H10O4 | 详情 | 详情 |
| (VI) | 34864 | ethyl 3-[2-[2-(dipropylamino)ethyl]-6-nitrophenyl]-2-oxopropanoate | C19H28N2O5 | 详情 | 详情 | |
| (VII) | 34865 | 2-[2-[2-(dipropylamino)ethyl]-6-nitrophenyl]acetic acid | C16H24N2O4 | 详情 | 详情 |
Extended Information