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【结 构 式】 
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【分子编号】56251 【品名】4-[[(2S,5R)-4-allyl-2,5-dimethylpiperazinyl](1H-1,2,3-benzotriazol-1-yl)methyl]-N,N-diethylbenzamide 【CA登记号】 |
【 分 子 式 】C27H36N6O 【 分 子 量 】460.62268 【元素组成】C 70.4% H 7.88% N 18.24% O 3.47% |
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：(XIII)In a different synthetic strategy, 4-formylbenzoic acid (XI) was first coupled to diethylamine by means of EDC to yield N,N-diethyl 4-formylbenzamide (XII). The intermediate iminium salt produced by condensation between aldehyde (XII) and the chiral piperazine (IX) was then isolated as the benzotriazole adduct (XIII). Displacement of the benzotriazolyl group by the Grignard reagent (XIV) produced the title diastereoisomer as the major product, which was further enriched by recrystallization from acetonitrile/water.
| 【1】 Report from ASCO 2002 - Docetaxel improves survival in node-positive early-stage breast cancer patients. Oncology (USA) 2002, 16, 8, 1054. |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (IX) | 20690 | (2R,5S)-1-allyl-2,5-dimethylpiperazine | C9H18N2 | 详情 | 详情 | |
| (XI) | 18922 | 4-formylbenzoic acid | 619-66-9 | C8H6O3 | 详情 | 详情 |
| (XII) | 45932 | N,N-diethyl-4-formylbenzamide | C12H15NO2 | 详情 | 详情 | |
| (XIII) | 56251 | 4-[[(2S,5R)-4-allyl-2,5-dimethylpiperazinyl](1H-1,2,3-benzotriazol-1-yl)methyl]-N,N-diethylbenzamide | C27H36N6O | 详情 | 详情 | |
| (XIV) | 35984 | bromo(3-methoxyphenyl)magnesium | 36282-40-3 | C7H7BrMgO | 详情 | 详情 |
Extended Information