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【结 构 式】 
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【分子编号】23319 【品名】2-(4-chlorobutyl)-3-(methylsulfanyl)-1,2,4-triazin-5(2H)-one 【CA登记号】 |
【 分 子 式 】C8H12ClN3OS 【 分 子 量 】233.7216 【元素组成】C 41.11% H 5.18% Cl 15.17% N 17.98% O 6.85% S 13.72% |
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：(III)Triazinone (I) was alkylated with 1-bromo-4-chlorobutane (II) in the presence of NaH to give the (chlorobutyl)triazinone (III). Subsequent hydrolysis of (III) with boiling 2 N HCl provided triazinedione (IV). Finally, condensation of (IV) with 1-(2-pyrimidinyl)piperazine (V) yielded the title compound.
| 【1】 Colpaert, F.C.; Koek, W.; Kleven, M.; Assie, M.B.; Dupont-Passelaigue, E.; Rouais, C.; Blettery, J.L.; Cosi, C.; Patoiseau, J.E.; S.A.R. of a novel series of high efficacy 5HT1A ag. 15th European Federation for Medicinal Chemistry International Symposium on Medicinal Chemistry (Sept 6 1998, Edinburgh) 1998, Abst P.296. |
| 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) | 23317 | 3-(methylsulfanyl)-1,2,4-triazin-5(2H)-one | C4H5N3OS | 详情 | 详情 | |
| (II) | 16141 | 1-bromo-4-chlorobutane | 6940-78-9 | C4H8BrCl | 详情 | 详情 |
| (III) | 23319 | 2-(4-chlorobutyl)-3-(methylsulfanyl)-1,2,4-triazin-5(2H)-one | C8H12ClN3OS | 详情 | 详情 | |
| (IV) | 23320 | 2-(4-chlorobutyl)-1,2,4-triazine-3,5(2H,4H)-dione | C7H10ClN3O2 | 详情 | 详情 | |
| (V) | 11175 | 2-(1-Piperazinyl)pyrimidine; 2-Piperazinopyrimidine; N-(Pyrimidinyl)piperazine | 20980-22-7 | C8H12N4 | 详情 | 详情 |
| (VI) | 23322 | 2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-1,2,4-triazine-3,5(2H,4H)-dione | C15H21N7O2 | 详情 | 详情 |
Extended Information