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【结 构 式】 
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【分子编号】25575 【品名】1-(4-methoxyphenyl)-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)methyl]piperazine; methyl 4-[4-[(5-phenyl-1H-1,2,4-triazol-3-yl)methyl]-1-piperazinyl]phenyl ether 【CA登记号】 |
【 分 子 式 】C20H23N5O 【 分 子 量 】349.43572 【元素组成】C 68.75% H 6.63% N 20.04% O 4.58% |
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：(VI)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 benzimidate (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) | 14225 | ethyl benzenecarboximidoate | C9H11NO | 详情 | 详情 | |
| (VI) | 25575 | 1-(4-methoxyphenyl)-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)methyl]piperazine; methyl 4-[4-[(5-phenyl-1H-1,2,4-triazol-3-yl)methyl]-1-piperazinyl]phenyl ether | C20H23N5O | 详情 | 详情 | |
| (VII) | 12354 | 4-Fluorobenzyl chloride; 1-(Chloromethyl)-4-fluorobenzene | 352-11-4 | C7H6ClF | 详情 | 详情 |
Extended Information