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【结 构 式】

【分子编号】43396

【品名】1-(2,4-difluorophenyl)-2,2-difluoro-2-(2-thienyl)-1-ethanone

【CA登记号】

【 分 子 式 】C12H6F4OS

【 分 子 量 】274.2386528

【元素组成】C 52.56% H 2.21% F 27.71% O 5.83% S 11.69%

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 copper-promoted coupling between 2-iodothiophene (I) and ethyl bromodifluoroacetate (II) produced ethyl 2,2-difluoro-2-(2-thienyl)acetate (III). Addition of the organolithium reagent derived from 2,4-difluorobromobenzene (IV) to ester (III) yielded ketone (V). This was converted into the oxirane (VI) by reaction with dimethyloxosulfonium methylide in DMSO. Finally, oxirane ring opening with 1,2,4-triazole (VII) provided the title compound.

1 Sakamoto, T.; Eto, H.; Kaneko, Y.; New antifungal 1,2,4-triazoles with difluro(heteroaryl)methyl moiety. Chem Pharm Bull 2000, 48, 7, 982.
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) 43394 2-iodothiophene 3437-95-4 C4H3IS 详情 详情
(II) 43395 ethyl 2,2-difluoro-2-(2-thienyl)acetate C8H8F2O2S 详情 详情
(III) 43396 1-(2,4-difluorophenyl)-2,2-difluoro-2-(2-thienyl)-1-ethanone C12H6F4OS 详情 详情
(IV) 15488 1-bromo-2,4-difluorobenzene 348-57-2 C6H3BrF2 详情 详情
(V) 43397 2-(2,4-difluorophenyl)-2-[difluoro(2-thienyl)methyl]oxirane C13H8F4OS 详情 详情
(VI) 43398 2-(2,4-difluorophenyl)-1,1-difluoro-1-(2-thienyl)-3-(1H-1,2,4-triazol-1-yl)-2-propanol C15H11F4N3OS 详情 详情
(VII) 13135 1H-1,2,4-Triazole; 1,2,4-Triazole 288-88-0 C2H3N3 详情 详情
Extended Information