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【结 构 式】 
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【分子编号】21505 【品名】N-([4-[4-(4-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridazinyl)-2-nitrophenyl]-1-piperazinyl]carbothioyl)benzamide 【CA登记号】 |
【 分 子 式 】C23H24N6O4S 【 分 子 量 】480.5476 【元素组成】C 57.49% H 5.03% N 17.49% O 13.32% S 6.67% |
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：(II)The acylation of 5-methyl-6-[3-nitro-4-(piperazin-1-yl)phenyl]-4,5-dihydro-3(2H)-pyridazinone (I) with benzoyl isothiocyanate gives the benzoylthiourea (II), which is cleaved by alkaline hydrolysis with potassium carbonate and methylated with methyl iodide to the isothiouronium salt (III). This compound is condensed with 3-(1H-imidazol-4-yl)propylamine (homohistamine, IV) to yield title compound.
| 【1】 Herter, R.; Engler, H.; Pfahlert, V.; Weidner, R.; Ahrens, K.H. (Heumann Pharma GmbH & Co.); 6-Oxo-pyridazinderivate, Verfahren zu ihrer Herstellung und diese Verbindungen enthaltende Arzneimittel. DE 3814057 . |
| 【2】 Morsdorf, P.; Engler, H.; HE 30582. Drugs Fut 1989, 14, 12, 1161. |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (I) | 21504 | 5-methyl-6-[3-nitro-4-(1-piperazinyl)phenyl]-4,5-dihydro-3(2H)-pyridazinone | C15H19N5O3 | 详情 | 详情 | |
| (II) | 21505 | N-([4-[4-(4-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridazinyl)-2-nitrophenyl]-1-piperazinyl]carbothioyl)benzamide | C23H24N6O4S | 详情 | 详情 | |
| (III) | 21506 | methyl 4-[4-(4-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridazinyl)-2-nitrophenyl]-1-piperazinecarbimidothioate hydroiodide | C17H23IN6O3S | 详情 | 详情 | |
| (IV) | 21507 | 3-(1H-imidazol-4-yl)-1-propanamine | C6H11N3 | 详情 | 详情 | |
| (V) | 23530 | benzoyl isothiocyanate | 532-55-8 | C8H5NOS | 详情 | 详情 |
Extended Information