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【结 构 式】 
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【分子编号】45725 【品名】4-(aminooxy)-2-chloro-6-ethyl-5-fluoropyrimidine; O-(2-chloro-6-ethyl-5-fluoro-4-pyrimidinyl)hydroxylamine 【CA登记号】 |
【 分 子 式 】C6H7ClFN3O 【 分 子 量 】191.5923032 【元素组成】C 37.61% H 3.68% Cl 18.5% F 9.92% N 21.93% O 8.35% |
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：(XIII)Alternatively, 6-ethyl-5-fluoropyrimidin-4-ol (IV) can be obtained by reaction of 2,4-dichloro-5-fluoropyrimidine (X) with ethylmagnesium bromide in THF to give the dihydropyrimidine derivative (XI), which is aromatized by reaction with I2 and TEA in THF yielding 2,4-dichloro-6-ethyl-5-fluoropyrimidine (XII). The reaction of (XII) with NaOH and NH4Cl affords the aminooxy derivative (XIII) which is finally submitted to a reductive dechlorination and deamination with H2 over Pd/C in ethanol/water.
| 【1】 Butters, M.; et al.; Process development of voriconazole: A novel broad-spectrum triazole antifungal agent. Org Process Res Dev 2001, 5, 1, 28. |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (IV) | 45720 | 6-ethyl-5-fluoro-4-pyrimidinol | C6H7FN2O | 详情 | 详情 | |
| (X) | 45722 | 2,4-dichloro-5-fluoropyrimidine；2,4-Dichloro-5-fluorouracil | C4HCl2FN2 | 详情 | 详情 | |
| (XI) | 45723 | bromo[2,4-dichloro-6-ethyl-5-fluoro-1(6H)-pyrimidinyl]magnesium | C6H6BrCl2FMgN2 | 详情 | 详情 | |
| (XII) | 45724 | 2,4-dichloro-6-ethyl-5-fluoropyrimidine | C6H5Cl2FN2 | 详情 | 详情 | |
| (XIII) | 45725 | 4-(aminooxy)-2-chloro-6-ethyl-5-fluoropyrimidine; O-(2-chloro-6-ethyl-5-fluoro-4-pyrimidinyl)hydroxylamine | C6H7ClFN3O | 详情 | 详情 |
Extended Information