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【结 构 式】 
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【分子编号】46400 【品名】2-(5-fluoro-2-nitroanilino)-1-benzothiophene-3-carbonitrile 【CA登记号】 |
【 分 子 式 】C15H8FN3O2S 【 分 子 量 】313.3119432 【元素组成】C 57.5% H 2.57% F 6.06% N 13.41% O 10.21% S 10.23% |
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：(VII)In a related procedure, the condensation of 2-aminobenzo[b]thiophene-3-carbonitrile (VI) with 2,4-difluoronitrobenzene (II) produced the diaryl amine (VII). Reduction of the nitro group of (VII) using sodium hydrosulfite yielded diamine (VIII). Subsequent cyclization of amino nitrile (VIII) upon acidic treatment gave rise to the tetracyclic system (IX). This was then treated with refluxing N-methylpiperazine (V) to provide the title compound.
| 【2】 Fujimura, M.; Horiuchi, H.; Tanaka, H.; Kohara, T.; Hashimoto, K.; Kimura, K.; Seio, K.; Yasumatsu, H. (Welfide Corporation); Fused thiophene cpds. and medicinal use thereof. EP 1016664; JP 2001072684; WO 9911647 . |
| 【1】 Horiuchi, H.; Kimura, K.; Tanaka, H.; et al.; Y-931, a novel antipsychotic with potential anti-NRH (NMDA receptor-hypofunction) activity: Synthesis and structure-activity relationships of 6H-[1]benzothieno[2,3-b][1,5]benzodiazepines. 16th Int Symp Med Chem (Sept 18 2000, Bologna) 2000, Abst PB-128. |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (II) | 32036 | 2,4-difluoro-1-nitrobenzene | 446-35-5 | C6H3F2NO2 | 详情 | 详情 |
| (V) | 10061 | 1-Methylpiperazine; 1-Methyl piperazine; N-Methylpiperazine | 109-01-3 | C5H12N2 | 详情 | 详情 |
| (VI) | 46399 | 2-amino-1-benzothiophene-3-carbonitrile | C9H6N2S | 详情 | 详情 | |
| (VII) | 46400 | 2-(5-fluoro-2-nitroanilino)-1-benzothiophene-3-carbonitrile | C15H8FN3O2S | 详情 | 详情 | |
| (VIII) | 46401 | 2-(2-amino-5-fluoroanilino)-1-benzothiophene-3-carbonitrile | C15H10FN3S | 详情 | 详情 | |
| (IX) | 46402 | 8-fluoro-6H-[1]benzothieno[2,3-b][1,5]benzodiazepin-12-ylamine; 8-fluoro-6H-[1]benzothieno[2,3-b][1,5]benzodiazepin-12-amine | C15H10FN3S | 详情 | 详情 |
Extended Information