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【结 构 式】

【分子编号】45990

【品名】1-(5-amino-2,4-difluorophenyl)-6-fluoro-8-methyl-7-(methylamino)-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid

【CA登记号】

【 分 子 式 】C18H14F3N3O3

【 分 子 量 】377.3227896

【元素组成】C 57.3% H 3.74% F 15.11% N 11.14% O 12.72%

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)

Treatment of benzoylacetate derivative (I) with triethyl orthoformate and Ac2O yields derivative (II), which is then subjected to cyclization with N-tert-buxoxycarbonyl-2,4-difluoro-m-phenylenediamine (III) in EtOH, followed by treatment with K2CO3 in DMF, to afford dihydroquinoline ethyl carboxylate derivative (IV). Simultaneous hydrolysis and Boc removal of (IV) with HCl gives carboxylic acid (V), which is then treated with an aqueous solution of methylamine in the presence of pyridine to provide derivative (VI). Finally, the ethanolamine salt of the compound is formed by treatment of (VI) with ethanolamine and pyridine.

1 Sakae, N.; Yazaki, A.; Kuramoto, Y.; Yoshida, J.; Niino, Y.; Oshita, Y.; Hirao, Y.; Hayashi, N.; Amano, H. (Wakunaga Pharmaceutical Co., Ltd.); Novel pyridonecarboxylic acid derivs. or salts thereof and drugs containing the same as the active ingredient. EP 0945435; WO 9823592 .
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) 45986 ethyl 3-oxo-3-(2,4,5-trifluoro-3-methylphenyl)propanoate C12H11F3O3 详情 详情
(II) 45987 ethyl (Z)-3-ethoxy-2-(2,4,5-trifluoro-3-methylbenzoyl)-2-propenoate C15H15F3O4 详情 详情
(III) 38179 tert-butyl 5-amino-2,4-difluorophenylcarbamate C11H14F2N2O2 详情 详情
(IV) 45988 ethyl 1-[5-[(tert-butoxycarbonyl)amino]-2,4-difluorophenyl]-6,7-difluoro-8-methyl-4-oxo-1,4-dihydro-3-quinolinecarboxylate C24H22F4N2O5 详情 详情
(V) 45989 1-(5-amino-2,4-difluorophenyl)-6,7-difluoro-8-methyl-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid C17H10F4N2O3 详情 详情
(VI) 45990 1-(5-amino-2,4-difluorophenyl)-6-fluoro-8-methyl-7-(methylamino)-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid C18H14F3N3O3 详情 详情
(VII) 10259 Ethanol amine;Ethanolamine;2-Aminoethanol; 2-Amino-1-ethanol;2-Aminoethyl alcohol 141-43-5 C2H7NO 详情 详情
Extended Information