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【结 构 式】 
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【分子编号】54371 【品名】5-methyl-1-[(4-methylphenyl)sulfonyl]-2,4(1H,3H)-pyrimidinedione 【CA登记号】 |
【 分 子 式 】C12H12N2O4S 【 分 子 量 】280.30436 【元素组成】C 51.42% H 4.32% N 9.99% O 22.83% S 11.44% |
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 protection strategy, sulfonylation of 5-methyluracil (VII) by means of p-toluenesulfonyl chloride under Schotten-Baumann conditions furnished the 1-tosyl derivative (XIII). This was condensed with 1-bromo-3-chloropropane (X), yielding chloride (XIV). Removal of the tosyl protecting group of (XIV) by hydrolysis with H2SO4 afforded 3-(3-chloropropyl)-5-methyluracil (XV). Finally, alkylation of piperazine (VI) with chloride (XV) led to the title compound.
| 【1】 Chapman, R.C.; Perkins, J. (F. Hoffmann-La Roche AG); Process for manufacturing alpha1L-adrenoceptor antagonists. EP 0949250 . |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (VI) | 54367 | 1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperazine; 5-fluoro-2-(1-piperazinyl)phenyl 2,2,2-trifluoroethyl ether | C12H14F4N2O | 详情 | 详情 | |
| (VII) | 12204 | 5-Methyl-2,4(1H,3H)-pyrimidinedione; Thymine | 65-71-4 | C5H6N2O2 | 详情 | 详情 |
| (X) | 10358 | 1-Bromo-3-chloropropane | 109-70-6 | C3H6BrCl | 详情 | 详情 |
| (XIII) | 54371 | 5-methyl-1-[(4-methylphenyl)sulfonyl]-2,4(1H,3H)-pyrimidinedione | C12H12N2O4S | 详情 | 详情 | |
| (XIV) | 54372 | 3-(3-chloropropyl)-5-methyl-1-[(4-methylphenyl)sulfonyl]-2,4(1H,3H)-pyrimidinedione | C15H17ClN2O4S | 详情 | 详情 | |
| (XV) | 54373 | 3-(3-chloropropyl)-5-methyl-2,4(1H,3H)-pyrimidinedione | C8H11ClN2O2 | 详情 | 详情 |
Extended Information