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【结 构 式】 
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【分子编号】52011 【品名】(E)-3-[4-(methylsulfanyl)phenyl]-2-propenenitrile 【CA登记号】 |
【 分 子 式 】C10H9NS 【 分 子 量 】175.2542 【元素组成】C 68.53% H 5.18% N 7.99% S 18.3% |
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 cyclization of phenylhydrazine (I) with 3-[4-(methylsulfanyl)phenyl]acrylonitrile (II) by means of NaOEt in refluxing ethanol gives the aminopyrazoline (III), which is dehydrogenated by means of MnO2 in dichloromethane to yield the 3-aminopyrazole (IV). The diazotation of (IV) with NaNO2 and HCl in water, followed by a treatment with Cu2Cl2, affords the 3-chloropyrazole (V), which is finally oxidized to the target sulfone by means of MCPBA in dichloromethane.
| 【1】 Matsuo, M.; Okumura, K.; Ogino, T.; Nakamura, K.; Nishimura, H.; Harada, K.; Hotta, Y.; Tsuji, K. (Fujisawa Pharmaceutical Co., Ltd.); 1,3,5-Trisubstd. pyrazoles for treatment of inflammation. EP 0856000; JP 1999513403; WO 9713755 . |
| 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) | 11818 | Phenyl hydrazine; 1-Phenylhydrazine | 100-63-0 | C6H8N2 | 详情 | 详情 |
| (II) | 52011 | (E)-3-[4-(methylsulfanyl)phenyl]-2-propenenitrile | C10H9NS | 详情 | 详情 | |
| (III) | 52012 | 5-[4-(methylsulfanyl)phenyl]-1-phenyl-4,5-dihydro-1H-pyrazol-3-amine; 5-[4-(methylsulfanyl)phenyl]-1-phenyl-4,5-dihydro-1H-pyrazol-3-ylamine | C16H17N3S | 详情 | 详情 | |
| (IV) | 52013 | 5-[4-(methylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-3-ylamine; 5-[4-(methylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-3-amine | C16H15N3S | 详情 | 详情 | |
| (V) | 52014 | 4-(3-chloro-1-phenyl-1H-pyrazol-5-yl)phenyl methyl sulfide; 3-chloro-5-[4-(methylsulfanyl)phenyl]-1-phenyl-1H-pyrazole | C16H13ClN2S | 详情 | 详情 |
Extended Information