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【结 构 式】 
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【分子编号】50651 【品名】tert-butyl 4-((3R)-4-[(1S)-1-[4-(1,3-benzodioxol-5-ylsulfonyl)phenyl]ethyl]-3-methylpiperazinyl)-4-methyl-1-piperidinecarboxylate 【CA登记号】 |
【 分 子 式 】C31H43N3O6S 【 分 子 量 】585.76504 【元素组成】C 63.56% H 7.4% N 7.17% O 16.39% S 5.47% |
合成路线1
该中间体在本合成路线中的序号：(XVII)Condensation of piperazine (XIV) with N-Boc-4-piperidinone (XV) in the presence of titanium isopropoxide as the dehydrating reagent, followed by addition of diethylaluminum cyanide to the intermediate iminium salt, provided the alpha-aminonitrile (XVI). The cyano group of (XVI) was subsequently displaced with methylmagnesium bromide, affording the methyl derivative (XVII). After acid cleavage of the Boc protecting group of (XVII), the resulting piperidine (XVIII) was finally acylated with propanesulfonyl chloride to furnish the corresponding sulfonamide.
| 【1】 Muscarinic antagonists. WO 9805292 . |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (XIV) | 50649 | (2R)-1-[(1S)-1-[4-(1,3-benzodioxol-5-ylsulfonyl)phenyl]ethyl]-2-methylpiperazine; 1,3-benzodioxol-5-yl 4-[(1S)-1-[(2R)-2-methylpiperazinyl]ethyl]phenyl sulfone | C20H24N2O4S | 详情 | 详情 | |
| (XV) | 18620 | tert-butyl 4-oxo-1-piperidinecarboxylate;BOC-Piperidone;N-(tert-Butoxycarbonyl)-4-piperidone; N-Boc-4-piperidone | 79099-07-3 | C10H17NO3 | 详情 | 详情 |
| (XVI) | 50650 | tert-butyl 4-((3R)-4-[(1S)-1-[4-(1,3-benzodioxol-5-ylsulfonyl)phenyl]ethyl]-3-methylpiperazinyl)-4-cyano-1-piperidinecarboxylate | C31H40N4O6S | 详情 | 详情 | |
| (XVII) | 50651 | tert-butyl 4-((3R)-4-[(1S)-1-[4-(1,3-benzodioxol-5-ylsulfonyl)phenyl]ethyl]-3-methylpiperazinyl)-4-methyl-1-piperidinecarboxylate | C31H43N3O6S | 详情 | 详情 | |
| (XVIII) | 50652 | (2R)-1-[(1S)-1-[4-(1,3-benzodioxol-5-ylsulfonyl)phenyl]ethyl]-2-methyl-4-(4-methyl-4-piperidinyl)piperazine; 1,3-benzodioxol-5-yl 4-[(1S)-1-[(2R)-2-methyl-4-(4-methyl-4-piperidinyl)piperazinyl]ethyl]phenyl sulfone | C26H35N3O4S | 详情 | 详情 |