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【结 构 式】 
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【分子编号】26948 【品名】benzyl 4-[(3-aminopropyl)amino]-1-piperidinecarboxylate 【CA登记号】 |
【 分 子 式 】C16H25N3O2 【 分 子 量 】291.39352 【元素组成】C 65.95% H 8.65% N 14.42% O 10.98% |
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：(XVIII)The trifluoroacetylated intermediate (XIII) has been obtained as follows: The reductocondensation of 1-(benzyloxycarbonyl)-4-piperidone (XVI) with propylene-1,3-diamine (XVII) by means of NaBH3CN in methanol/acetic acid gives 4-(3-aminopropylamino)-1-(benzyloxycarbonyl)piperidine (XVIII), which is acylated with trifluoroacetyl anhydride and triethylamine in chloroform yielding the protected diacylated piperidine (XIX). Finally, this compound is deprotected by hydrogenation with H2 over Pd/C in ethanol to afford the target intermediate (XIII).
| 【1】 Miller, S.C. (AstraZeneca plc); Therapeutic heterocycles which antagonize neurokinin receptors. JP 1997501439; US 5567700; US 5990130; US 6124279; WO 9505377 . |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (XIII) | 26944 | 2,2,2-trifluoro-N-(4-piperidinyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]acetamide | C12H17F6N3O2 | 详情 | 详情 | |
| (XVI) | 26947 | benzyl 4-oxo-1-piperidinecarboxylate; N-Benzyloxycarbonyl-4-piperidone | 19099-93-5 | C13H15NO3 | 详情 | 详情 |
| (XVII) | 19331 | 3-aminopropylamine; 1,3-propanediamine | 109-76-2 | C3H10N2 | 详情 | 详情 |
| (XVIII) | 26948 | benzyl 4-[(3-aminopropyl)amino]-1-piperidinecarboxylate | C16H25N3O2 | 详情 | 详情 | |
| (XIX) | 26949 | benzyl 4-((2,2,2-trifluoroacetyl)[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino)-1-piperidinecarboxylate | C20H23F6N3O4 | 详情 | 详情 |
Extended Information