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 -Drug Synthesis Database

【结构式】

【分子编号】25577

【品名】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

【CA登记号】

【分子式】C₂₁H₂₅N₅O

【分子量】363.4626

【元素组成】C 69.4% H 6.93% N 19.27% O 4.4%

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 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.

参考文献中间体

合成目标

【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