4-Chloro-1-(4-fluorophenyl)-1-butanone -Drug Synthesis Database

【结构式】

【分子编号】11431

【品名】4-Chloro-1-(4-fluorophenyl)-1-butanone

【CA登记号】

【分子式】C₁₀H₁₀ClFO

【分子量】200.6399032

【元素组成】C 59.86% H 5.02% Cl 17.67% F 9.47% O 7.97%

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)

A new synthesis of [18F]-labeled BMY-14802 has been described: The fluorination of 4-(cyclopropylcarbonyl)nitrobenzene (I) with [18F]-CsF in DMSO - 5% water at 180 C gives 4-fluorophenylcyclopropylmethanone (II), which is treated with HCl in methanol, yielding 4-chloro-1-(4-fluorophenyl)-1-butanone (III). The condensation of (III) with 5-fluoro-2-piperazinopyrimidine (VI) affords 1-(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1-butan one (V), which is finally reduced with NaBH4 in methanol.

参考文献中间体

合成目标

【1】 Shea, C.; Taylor, D.P.; Ding, Y.S.; Wolf, A.P.; Logan, J.; Volkow, N.D.; Gatley, S.J.; Fowler, J.S.; Dewey, S.L.; Synthesis and PET studies of fluorine-18-BMY-14802 - A potential antipsychotic drug. J Nucl Med 1993, 34, 2, 246.

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)	11423	Cyclopropyl(4-nitrophenyl)methanone		C₁₀H₉NO₃	详情	详情
(II)	11424	Cyclopropyl(4-fluorophenyl)methanone		C₁₀H₉FO	详情	详情
(II)	27427	cyclopropyl(4-fluorophenyl)methanone	772-31-6	C₁₀H₉FO	详情	详情
(III)	11431	4-Chloro-1-(4-fluorophenyl)-1-butanone		C₁₀H₁₀ClFO	详情	详情
(III)	35864	4-chloro-1-(4-fluorophenyl)-1-butanone	3874-54-2	C₁₀H₁₀ClFO	详情	详情
(IV)	11426	5-Fluoro-2-piperazinopyrimidine		C₈H₁₁FN₄	详情	详情
(V)	11427	1-(4-Fluorophenyl)-4-[4-(5-fluoro-2-pyrimidinyl)piperazino]-1-butanone		C₁₈H₂₀F₂N₄O	详情	详情
(V)	28024	(2S)-2-(chloromethyl)-1-ethylpyrrolidine		C₇H₁₄ClN	详情	详情

Extended Information