ethyl 4-fluorobenzoate -Drug Synthesis Database

【结构式】

【分子编号】60543

【品名】ethyl 4-fluorobenzoate

【CA登记号】

【分子式】C₉H₉FO₂

【分子量】168.1676632

【元素组成】C 64.28% H 5.39% F 11.3% O 19.03%

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：(II)

The reaction of 4-nitrobenzoic acid ethyl ester (I) with 18FK in DMSO at 150 C gives 4-18Fluorobenzoic acid ethyl ester (II), which is hydrolyzed with NaOH to yield the corresponding free acid (III) Finally, this compound is condensed with 4-acetylpiperazine-1-amine (IV) by means of WSC and HOBT in DMF to afford the target labeled compound. Alternatively, 4-18Fluorobenzoic acid ethyl ester (II) can also be obtained by reaction ethyl 4-aminobenzoate triflate salt (V) with 18FK in DMSO at 120 C.

参考文献中间体

合成目标

【1】 Murakami, Y.; et al.; Synthesis of 18F labelled FK960, a candidate anti-dementia drug, and PET studies in conscious monkeys. J Label Compd Radiopharm 2002, 45, 14, 1219.

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)	60542	ethyl 4-nitrobenzoate	99-77-4	C₉H₉NO₄	详情	详情
(II)	60543	ethyl 4-fluorobenzoate		C₉H₉FO₂	详情	详情
(III)	60544	4-fluorobenzoic acid		C₇H₅FO₂	详情	详情
(IV)	17262	1-(4-aminopiperazino)-1-ethanone		C₆H₁₃N₃O	详情	详情
(V)	60545			C₁₁H₁₆O₂	详情	详情

Extended Information