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【结 构 式】

【分子编号】49136

【品名】2-fluoro-5-[5-(2-furyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzonitrile

【CA登记号】

【 分 子 式 】C15H7F4N3O

【 分 子 量 】321.2338128

【元素组成】C 56.09% H 2.2% F 23.66% N 13.08% O 4.98%

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)

The condensation of diketone (I) with hydrazine (II) in refluxing EtOH gave pyrazole (III). Carboxylic acid (IV) was then obtained by oxidative cleavage of the furan ring with KMnO4. After conversion of (IV) to the corresponding acid chloride (V), coupling with the biphenyl amine (VI) provided amide (VII). Ring closure of the fluoronitrile group with acetamidine hydrochloride (VIII) with concomitant deprotection of the N-tert-butyl group furnished the title aminoquinazoline derivative.

1 Rossi, K.A.; Clark, C.G.; Li, R.; et al.; Discovery of aminoquinazoline and aminoindazole P1 side chains as benzamidine mimics for FXa inhibitors. 221st ACS Natl Meet (April 1 2001, San Diego) 2001, Abst MEDI 50.
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) 47956 4,4,4-trifluoro-1-(2-furyl)-1,3-butanedione; 1-(2-Furanyl)-4,4,4-trifluoro-1,3-butanedione 326-90-9 C8H5F3O3 详情 详情
(II) 49135 2-fluoro-5-hydrazinobenzonitrile C7H6FN3 详情 详情
(III) 49136 2-fluoro-5-[5-(2-furyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzonitrile C15H7F4N3O 详情 详情
(IV) 49137 1-(3-cyano-4-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid C12H5F4N3O2 详情 详情
(V) 49138 1-(3-cyano-4-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carbonyl chloride C12H4ClF4N3O 详情 详情
(VI) 47966 4'-amino-N-(tert-butyl)-3'-fluoro[1,1'-biphenyl]-2-sulfonamide C16H19FN2O2S 详情 详情
(VII) 49139 N-[2'-[(tert-butylamino)sulfonyl]-3-fluoro[1,1'-biphenyl]-4-yl]-1-(3-cyano-4-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide C28H22F5N5O3S 详情 详情
(VIII) 15866 ethanimidamide C2H6N2 详情 详情
Extended Information