|
【结 构 式】 
|
【分子编号】43397 【品名】2-(2,4-difluorophenyl)-2-[difluoro(2-thienyl)methyl]oxirane 【CA登记号】 |
【 分 子 式 】C13H8F4OS 【 分 子 量 】288.2655328 【元素组成】C 54.17% H 2.8% F 26.36% O 5.55% S 11.12% |
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：(V)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