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【结 构 式】 
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【分子编号】12498 【品名】3-[[3-(Ethoxymethyl)-5-fluoro-2,6-dioxo-3,6-dihydro-1(2H)-pyrimidinyl]carbonyl]benzoyl chloride 【CA登记号】 |
【 分 子 式 】C15H12ClFN2O5 【 分 子 量 】354.7218632 【元素组成】C 50.79% H 3.41% Cl 9.99% F 5.36% N 7.9% O 22.55% |
合成路线1
该中间体在本合成路线中的序号：(I)By condensation of 3-[3-(chlorocarbonyl)benzoyl]-1-(ethoxymethyl)-5-fluorouracil (I) with 6-benzoyloxy-3-cyano-2-hydroxypyridine (II) by means of triethylamine in refluxing acetonitrile. The starting compounds (I) and (II) are obtained as follows: The reaction of 1-(ethoxymethyl)-5-fluorouracil (III) with isophthaloyl dichloride (IV) by means of triethylamine in refluxing dioxane gives uracil (I). The esterification of 3-cyano-2,6-dihydroxypyridine (V) with benzoyl chloride (VI) by means of triethylamine in dimethylacetamide affords pyridine (II).
| 【1】 Fujii, S. (Otsuka Pharmaceutical Co., Ltd.); 5-Fluorouracil derivs., process for their preparation and their use. DE 3709699; FR 2605006; GB 2192880; JP 1988201127; JP 1988301880 . |
| 【2】 Castaner, J.; Hoshi, A.; Emitefur. Drugs Fut 1993, 18, 5, 418. |
| 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) | 12498 | 3-[[3-(Ethoxymethyl)-5-fluoro-2,6-dioxo-3,6-dihydro-1(2H)-pyrimidinyl]carbonyl]benzoyl chloride | C15H12ClFN2O5 | 详情 | 详情 | |
| (II) | 12499 | 5-cyano-6-hydroxy-2-pyridinyl benzoate | C13H8N2O3 | 详情 | 详情 | |
| (III) | 12500 | 1-(Ethoxymethyl)-5-fluoro-2,4(1H,3H)-pyrimidinedione | C7H9FN2O3 | 详情 | 详情 | |
| (IV) | 12501 | Isophthaloyl dichloride | 99-63-8 | C8H4Cl2O2 | 详情 | 详情 |
| (V) | 12502 | 2,6-Dihydroxynicotinonitrile | C6H4N2O2 | 详情 | 详情 | |
| (VI) | 10463 | Benzoyl chloride | 98-88-4 | C7H5ClO | 详情 | 详情 |