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【结 构 式】

【分子编号】14134

【品名】1-(4-Bromobutyl)-4-chloro-1H-pyrazole

【CA登记号】

【 分 子 式 】C7H10BrClN2

【 分 子 量 】237.52658

【元素组成】C 35.4% H 4.24% Br 33.64% Cl 14.93% N 11.79%

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:(III)

Lesopitron dihydrochloride was obtained following two related procedures. 1) Reaction of 4-chloropyrazole (I) with 1,4-dibromobutane (II) gives 1-(4-bromobutyl)-4-chloropyrazole (III). Compound (III) is refluxed with 2-(1-piperazinyl)pyrimidine (IV) and potassium carbonate in DMF to give lesopitron (V), which is treated with isopropyl alcohol saturated with hydrochloric acid to pH 4.5-5 . 2) 2-(1-Piperazinyl)pyrimidine (IV) reacts with 1,4-dibromobutane (II) to yield 8-(2-pyrimidinyl)-8-aza-5-azoniaspiro[4.5]decane bromide (VI). The quaternary salt (VI) undergoes reaction with 4-chloropyrazole (I) in DMF in the presence of potassium carbonate to afford the free base.

1 Merce-Vidal, R.; Frigola-Constansa, J.; Pares-Corominas, J. (Laboratorios del Dr. Esteve, SA); Process for the preparation of aryl (or heteroaryl) piperazinylbutylazole derivs. AU 9211429; CA 2062468; EP 0502786; ES 2036145; FR 2673628; JP 1993078313; NO 9200888; US 5227486; ZA 9201682 .
2 Frigola, J.; Farré, A.; Lesopitron Dihydrochloride. Drugs Fut 1994, 19, 7, 651.
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) 14132 4-Chloro-1H-pyrazole 15878-00-9 C3H3ClN2 详情 详情
(II) 11883 1,4-Dibromobutane; 1,4-Butylene bromide 110-52-1 C4H8Br2 详情 详情
(III) 14134 1-(4-Bromobutyl)-4-chloro-1H-pyrazole C7H10BrClN2 详情 详情
(IV) 11175 2-(1-Piperazinyl)pyrimidine; 2-Piperazinopyrimidine; N-(Pyrimidinyl)piperazine 20980-22-7 C8H12N4 详情 详情
(V) 14136 2-[4-[4-(4-Chloro-1H-pyrazol-1-yl)butyl]piperazino]pyrimidine C15H21ClN6 详情 详情
(VI) 14137 8-(2-Pyrimidinyl)-8-aza-5-azoniaspiro[4.5]decane C12H19N4 详情 详情
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