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【结 构 式】

【分子编号】34112

【品名】1-(2-fluoro[1,1'-biphenyl]-4-yl)-1-ethanone

【CA登记号】

【 分 子 式 】C14H11FO

【 分 子 量 】214.2391432

【元素组成】C 78.49% H 5.18% F 8.87% O 7.47%

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:(VI)

By reaction of ethyl 2-fluoro-4-biphenylylacetate (I) first with diethyl carbonate and sodium ethoxide, and then with dimethyl sulfate in ethanol to give diethyl 2-fluoro-4-biphenylyl-alpha-methylmalonate (II), which was hydrolyzed with NaOH in ethanol and finally decarboxylated at 180-200 C. The starting product (I) was obtained as follows: the Ullman condensation of 4-bromo-3-nitroacetophenone (III) gives 2-nitro-4-acetylbiphenyl (IV), which was reduced to the corresponding amino compound (V). This, by the Schieman reaction was converted into 2-fluoro-4-acetylbiphenyl (VI), which by heating with sulfur and morpholine (B) gave 2-fluoro-4-biphenylylacetic acid (VII), and finally (VII) was esterified by refluxing with ethanol and H2SO4.

1 Adams, S.S.; et al.; 2-(Mono- and difluoro-4-biphenyl)propionic acids. US 3755427 .
2 Thorpe, P.; Castaner, J.; Flurbiprofen. Drugs Fut 1976, 1, 7, 323.
中间体序号 中间体编号 品名 CAS号 分子式 供应商 用于合成
(B) 10388 Morpholine 110-91-8 C4H9NO 详情 详情
(A) 13364 Benzene 71-43-2 C6H6 详情 详情
(I) 34107 ethyl 2-(2-fluoro[1,1'-biphenyl]-4-yl)acetate C16H15FO2 详情 详情
(II) 34108 diethyl 2-(2-fluoro[1,1'-biphenyl]-4-yl)-2-methylmalonate C20H21FO4 详情 详情
(III) 34109 1-(4-bromo-3-nitrophenyl)-1-ethanone 18640-58-9 C8H6BrNO3 详情 详情
(IV) 34110 1-(2-nitro[1,1'-biphenyl]-4-yl)-1-ethanone C14H11NO3 详情 详情
(V) 34111 1-(2-amino[1,1'-biphenyl]-4-yl)-1-ethanone C14H13NO 详情 详情
(VI) 34112 1-(2-fluoro[1,1'-biphenyl]-4-yl)-1-ethanone C14H11FO 详情 详情
(VII) 34113 2-(2-fluoro[1,1'-biphenyl]-4-yl)acetic acid C14H11FO2 详情 详情
Extended Information