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【结 构 式】

【分子编号】37705

【品名】1-(4-chlorophenyl)-2-(1-piperazinyl)-1-ethanone

【CA登记号】

【 分 子 式 】C12H15ClN2O

【 分 子 量 】238.71668

【元素组成】C 60.38% H 6.33% Cl 14.85% N 11.74% O 6.7%

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:(IV)

Alkylation of ethyl 1-piperazinecarboxylate (I) with 2-bromo-4'-chloroacetophenone (II) afforded disubstituted piperazine (III). Further cleavage of the carbamate group of (III) in refluxing HCl produced piperazine (IV). Bromide (VII) was prepared by reduction of 3,5-di-tert-butyl-4-hydroxybenzaldehyde (V) with NaBH4, followed by treatment of the resulting alcohol (VI) with PBr3. Piperazine (IV) was then condensed with bromide (VII) to give adduct (VIII). Finally, ketone reduction using LiAlH4 furnished the title alcohol.

1 Collis, M.P.; Robertson, A.D.; Kenche, V.B.; Jackson, W.R.; Jarrott, B.; Beart, P.M. (Monash University); Arylalkylpiperazine cpds. as antioxidants. JP 2000510126; WO 9743259 .
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) 24694 N-ethoxycarbonylpiperidine; Ethyl 1-piperazinecarboxylate; N-Ethoxycarbonyl piperazine; N-Carbethoxy piperazine 120-43-4 C7H14N2O2 详情 详情
(II) 16720 2-bromo-1-(4-chlorophenyl)-1-ethanone; 2-Bromo-4'-chloroacetophenone 536-38-9 C8H6BrClO 详情 详情
(III) 37704 ethyl 4-[2-(4-chlorophenyl)-2-oxoethyl]-1-piperazinecarboxylate C15H19ClN2O3 详情 详情
(IV) 37705 1-(4-chlorophenyl)-2-(1-piperazinyl)-1-ethanone C12H15ClN2O 详情 详情
(V) 14875 3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzaldehyde; 3,5-di(tert-butyl)-4-hydroxybenzaldehyde; 3,5-Di-tert-butyl-4-hydroxybenzaldehyde 1620-98-0 C15H22O2 详情 详情
(VI) 37706 2,6-di(tert-butyl)-4-(hydroxymethyl)phenol 88-26-6 C15H24O2 详情 详情
(VII) 37707 4-(bromomethyl)-2,6-di(tert-butyl)phenol C15H23BrO 详情 详情
(VIII) 37708 1-(4-chlorophenyl)-2-[4-[3,5-di(tert-butyl)-4-hydroxybenzyl]-1-piperazinyl]-1-ethanone C27H37ClN2O2 详情 详情
Extended Information