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【结 构 式】 
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【分子编号】25576 【品名】ethyl 4-methylbenzenecarboximidoate 【CA登记号】 |
【 分 子 式 】C10H13NO 【 分 子 量 】163.21936 【元素组成】C 73.59% H 8.03% N 8.58% O 9.8% |
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：(V)The condensation of 1-(4-methoxyphenyl)piperazine (I) with ethyl chloroacetate (II) gives the expected condensation product (III), which by treatment with hydrazine in converted into the corresponding hydrazide (IV). The cyclization of (IV) with 4-methylbenzimidate (V) by heating at 180 C affords the triazole (VI), which is finally condensed with 4-fluorobenzyl chloride (VII) by means of NaH in DMF.
| 【1】 Chytiroglou-Lada, A.; Filippatos, E.C.; Papakonstantinou-Garoufalias, S.S.; Papadaki-Valiraki, A.E.; Todoulou, O.G.; Synthesis, antifungal activity and antibacterial evaluation of some 3-piperazinylmethyl-5-aryl-1H-1,2,4-triazoles. Arzneim-Forsch Drug Res 1998, 48, 10, 1019. |
| 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) | 16312 | 1-(4-Methoxyphenyl)piperazine; Methyl 4-piperazinophenyl ether | 38212-30-5 | C11H16N2O | 详情 | 详情 |
| (II) | 16601 | ethyl chloroacetate; ethyl 2-chloroacetate | 105-39-5 | C4H7ClO2 | 详情 | 详情 |
| (III) | 25573 | ethyl 2-[4-(4-methoxyphenyl)-1-piperazinyl]acetate | C15H22N2O3 | 详情 | 详情 | |
| (IV) | 25574 | 2-[4-(4-methoxyphenyl)-1-piperazinyl]acetohydrazide | C13H20N4O2 | 详情 | 详情 | |
| (V) | 25576 | ethyl 4-methylbenzenecarboximidoate | C10H13NO | 详情 | 详情 | |
| (VI) | 25577 | methyl 4-(4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]methyl]-1-piperazinyl)phenyl ether; 1-(4-methoxyphenyl)-4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]methyl]piperazine | C21H25N5O | 详情 | 详情 | |
| (VII) | 12354 | 4-Fluorobenzyl chloride; 1-(Chloromethyl)-4-fluorobenzene | 352-11-4 | C7H6ClF | 详情 | 详情 |
Extended Information