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【结 构 式】

【分子编号】23241

【品名】ethyl 4-[2-([4-[3-[4-(2-methoxyphenyl)-1-piperazinyl]-1-(4-methylphenyl)propoxy]benzoyl]amino)phenoxy]butanoate

【CA登记号】

【 分 子 式 】C40H47N3O6

【 分 子 量 】665.8298

【元素组成】C 72.16% H 7.11% N 6.31% O 14.42%

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:(XI)

Reduction of ketoester (I) with NaBH4 in THF-MeOH afforded diol (II), which was treated with HCl in toluene to give chlorohydrin (III). Benzanilide (VII) was prepared by condensation of acid chloride (IV) with aniline (V), followed by catalytic hydrogenolysis of the resulting benzyl ether (VI). Then, alkylation of phenol (VII) with chloride (III) in the presence of K2CO3 provided ether (VIII). The hydroxyl group of (VIII) was converted to bromide (IX) using CBr4 and this compound was condensed with N-(2-methoxyphenyl)piperazine (X) to produce disubstituted piperazine (XI). The ethyl ester group of (XI) was finally hydrolyzed using KOH in aqueous EtOH.

1 Yoshida, K.; Horikoshi, Y.; Eta, M.; Chikazawa, J.; Ogishima, M.; Fukuda, Y.; Sato, H.; Synthesis of benzanilide derivatives as dual actin. Bioorg Med Chem Lett 1998, 8, 21, 2967.
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) 23231 methyl 3-(4-methylphenyl)-3-oxopropanoate C11H12O3 详情 详情
(II) 23232 1-(4-methylphenyl)-1,3-propanediol C10H14O2 详情 详情
(III) 23233 3-chloro-3-(4-methylphenyl)-1-propanol C10H13ClO 详情 详情
(IV) 23234 4-(benzyloxy)benzoyl chloride C14H11ClO2 详情 详情
(V) 21940 ethyl 4-(2-aminophenoxy)butanoate C12H17NO3 详情 详情
(VI) 23236 ethyl 4-(2-[[4-(benzyloxy)benzoyl]amino]phenoxy)butanoate C26H27NO5 详情 详情
(VII) 23237 ethyl 4-[2-[(4-hydroxybenzoyl)amino]phenoxy]butanoate C19H21NO5 详情 详情
(VIII) 23238 ethyl 4-[2-([4-[3-hydroxy-1-(4-methylphenyl)propoxy]benzoyl]amino)phenoxy]butanoate C29H33NO6 详情 详情
(IX) 23239 ethyl 4-[2-([4-[3-bromo-1-(4-methylphenyl)propoxy]benzoyl]amino)phenoxy]butanoate C29H32BrNO5 详情 详情
(X) 11882 1-(2-Methoxyphenyl)piperazine; Methyl 2-piperazinophenyl ether; 1-(2-Methoxyphenyl)-piperazine 35386-24-4 C11H16N2O 详情 详情
(XI) 23241 ethyl 4-[2-([4-[3-[4-(2-methoxyphenyl)-1-piperazinyl]-1-(4-methylphenyl)propoxy]benzoyl]amino)phenoxy]butanoate C40H47N3O6 详情 详情
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