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【结 构 式】 
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【分子编号】53834 【品名】{(2R,3S,5R)-3-(acetyloxy)-5-[4-amino-2-oxo-1(2H)-pyrimidinyl]-4-[(E)-fluoromethylidene]tetrahydro-2-furanyl}methyl acetate 【CA登记号】n/a |
【 分 子 式 】C14H16FN3O6 【 分 子 量 】341.2960632 【元素组成】C 49.27% H 4.73% F 5.57% N 12.31% O 28.13% |
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：(IV)The acetylation of (E)-2'-deoxy-2'-(fluoromethylene)cytidine (I) with acetyl chloride gives the diacetate (II), which is iodinated with iodine and silver trifluoroacetate in dioxane yielding the 5-iodo derivative (III). The hydrogenation of (III) with tritium over Rh/Al2O3 affords the tritiated diacetyl target compound (IV), which is finally hydrolyzed with K2CO3 in methanol.
| 【1】 Wagner, E.R.; et al.; Radiolabeling of ribonucleotide diphosphate reductase inhibitor (E)-2'-deoxy-2'-(fluoromethylene)cytidine. Synthesis and Applications of Isotopically Labelled Compounds 1994, 659 (paper 118). |
| 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) | 29256 | 4-amino-1-[(2R,4S,5R)-3-[(E)-fluoromethylidene]-4-hydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-2(1H)-pyrimidinone | C10H12FN3O4 | 详情 | 详情 | |
| (II) | 29257 | [(2R,3S,5R)-3-(acetoxy)-5-[4-amino-2-oxo-1(2H)-pyrimidinyl]-4-[(E)-fluoromethylidene]tetrahydro-2-furanyl]methyl acetate | C14H16FN3O6 | 详情 | 详情 | |
| (III) | 29258 | [(2R,3S,5R)-3-(acetoxy)-5-[4-amino-5-iodo-2-oxo-1(2H)-pyrimidinyl]-4-[(E)-fluoromethylidene]tetrahydro-2-furanyl]methyl acetate | C14H15FIN3O6 | 详情 | 详情 | |
| (IV) | 53834 | {(2R,3S,5R)-3-(acetyloxy)-5-[4-amino-2-oxo-1(2H)-pyrimidinyl]-4-[(E)-fluoromethylidene]tetrahydro-2-furanyl}methyl acetate | n/a | C14H16FN3O6 | 详情 | 详情 |
Extended Information