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【结 构 式】 
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【分子编号】33692 【品名】8-chloro-2-(methylsulfanyl)-3-(phenylsulfonyl)-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidine; 8-chloro-2-(methylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidin-3-yl phenyl sulfone 【CA登记号】 |
【 分 子 式 】C16H14ClN3O2S2 【 分 子 量 】379.89088 【元素组成】C 50.59% H 3.71% Cl 9.33% N 11.06% O 8.42% S 16.88% |
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：(IV)Condensation of ethyl cyclopentanone-2-carboxylate (I) with pyrazolyl amine (II) in boiling AcOH produced pyrazolopyrimidinol (III), which was then chlorinated by means of POCl3 to give (IV). Finally, displacement of the chlorine atom of (IV) with piperazine in hot DMF furnished the title compound.
| 【1】 Stadler, H.; Boes, M.; Riemer, C. (F. Hoffmann-La Roche AG); Pyrazolopyrimidines and pyrazolotriazines with 5-HT6 receptor affinity. EP 0941994; JP 2000186090 . |
| 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) | 29947 | ethyl 2-oxocyclopentanecarboxylate | 611-10-9 | C8H12O3 | 详情 | 详情 |
| (II) | 33690 | 3-(methylsulfanyl)-4-(phenylsulfonyl)-1H-pyrazol-5-ylamine; 3-(methylsulfanyl)-4-(phenylsulfonyl)-1H-pyrazol-5-amine | C10H11N3O2S2 | 详情 | 详情 | |
| (III) | 33691 | 2-(methylsulfanyl)-3-(phenylsulfonyl)-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidin-8-ol | C16H15N3O3S2 | 详情 | 详情 | |
| (IV) | 33692 | 8-chloro-2-(methylsulfanyl)-3-(phenylsulfonyl)-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidine; 8-chloro-2-(methylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidin-3-yl phenyl sulfone | C16H14ClN3O2S2 | 详情 | 详情 | |
| (V) | 10355 | Diethylenediamine; Piperazine | 110-85-0 | C4H10N2 | 详情 | 详情 |
Extended Information