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【结 构 式】 
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【分子编号】27780 【品名】1,3-dimethyl-7-(2-oxiranylmethyl)-3,7-dihydro-1H-purine-2,6-dione 【CA登记号】 |
【 分 子 式 】C10H12N4O3 【 分 子 量 】236.23044 【元素组成】C 50.84% H 5.12% N 23.72% O 20.32% |
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：(VI)The reaction of 1-bromo-3-chloropropane (I) with thiophenol (II) by means of NaOH in refluxing water gives 1-(phenylthio)-3-chloropropane (III), which is condensed with piperazine (IV) by means of NaOH in refluxing ethanol-water yielding 1-(3-phenylthiopropyl)piperazine (V). Finally, this compound is condensed with 7-(2,3-epoxypropyl)theophylline (VI) in refluxing ethanol.
| 【1】 Favier, C.; Pinhas, H.; Beranger, S.; Pascal, J.-C. (Roche Bioscience); Piperazine derivatives of theophylline. EP 0033674; GB 2069487; JP 56120683; US 4374835 . |
| 【2】 Castaner, R.M.; Castaner, J.; Serradell, M.N.; Tester-Dalderup, C.; Tazifylline Hydrochloride. Drugs Fut 1987, 12, 11, 1036. |
| 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) | 12951 | Benzenethiol; Phenylmercaptan; Phenylhydrosulfide | 108-98-5 | C6H6S | 详情 | 详情 |
| (II) | 10358 | 1-Bromo-3-chloropropane | 109-70-6 | C3H6BrCl | 详情 | 详情 |
| (III) | 27778 | 1-[(3-chloropropyl)sulfanyl]benzene | C9H11ClS | 详情 | 详情 | |
| (IV) | 10355 | Diethylenediamine; Piperazine | 110-85-0 | C4H10N2 | 详情 | 详情 |
| (V) | 27779 | 1-[3-(phenylsulfanyl)propyl]piperazine | C13H20N2S | 详情 | 详情 | |
| (VI) | 27780 | 1,3-dimethyl-7-(2-oxiranylmethyl)-3,7-dihydro-1H-purine-2,6-dione | C10H12N4O3 | 详情 | 详情 |
Extended Information