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【结 构 式】 
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【分子编号】37085 【品名】5-(1,3-benzodioxol-5-ylmethyl)-2-(methylsulfanyl)-4(1H)-pyrimidinone 【CA登记号】 |
【 分 子 式 】C13H12N2O3S 【 分 子 量 】276.31596 【元素组成】C 56.51% H 4.38% N 10.14% O 17.37% S 11.6% |
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：(IX)The cyclization of ethyl 3-(3,4-ethylenedioxyphenyl)propionate (V), ethyl formate (VI) and thiourea (VII) by means of Na in ether and ethanol gives 5-(3,4-methylenedioxyphenyl)-2-thiouracil (VIII), which by reaction with methyl iodide and NaOH in ethanol-water is converted into 5-(3,4-methylenedioxybenzyl)-2-methylthio-4-pyrimidone (IX). Finally, this compound is condensed with (IV) by heating at 150 C.
| 【1】 Brown, T.H.; DE 2660563 . |
| 【2】 Blancafort, P.; Castaner, J.; Serradell, M.N.; Oxmetidine hydrochloride. Drugs Fut 1982, 7, 10, 749. |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (IV) | 34071 | 2-[[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl]-1-ethanamine; 2-[[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl]ethylamine | C7H13N3S | 详情 | 详情 | |
| (V) | 37083 | ethyl 3-(1,3-benzodioxol-5-yl)propanoate | C12H14O4 | 详情 | 详情 | |
| (VII) | 10180 | Thiourea | 62-56-6 | CH4N2S | 详情 | 详情 |
| (VIII) | 37084 | 5-(1,3-benzodioxol-5-ylmethyl)-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone | C12H10N2O3S | 详情 | 详情 | |
| (IX) | 37085 | 5-(1,3-benzodioxol-5-ylmethyl)-2-(methylsulfanyl)-4(1H)-pyrimidinone | C13H12N2O3S | 详情 | 详情 |
Extended Information