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【结 构 式】 
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【分子编号】61374 【品名】tert-butyl (2S,3S,4R,5R)-5-[6-({5-chloro-2-[(3-methyl-5-isoxazolyl)methoxy]benzyl}amino)-9H-purin-9-yl]-4-hydroxy-2-[(methylamino)carbonyl]tetrahydro-3-furanylcarbamate 【CA登记号】 |
【 分 子 式 】C28H33ClN8O7 【 分 子 量 】629.07244 【元素组成】C 53.46% H 5.29% Cl 5.64% N 17.81% O 17.8% |
合成路线1
该中间体在本合成路线中的序号：(XVII)Coupling between 2-(phthalimidomethyl)-4-chlorophenol (XIII) and 5-(hydroxymethyl)-3-methylisoxazole (XIV) under Mitsunobu conditions provides the ether adduct (XV). Subsequent phthaloyl group hydrazinolysis in (XV) leads to the primary amine (XVI). The 6-chloropurine glycoside (XII) is then condensed with amine (XVI) to furnish the 6-aminopurine derivative (XVII). Finally, Boc group cleavage in (XVII) employing methanesulfonic acid affords the title compound.
| 【1】 Masamune, H.; Scott, R.W.; Deninno, M.P. (Pfizer Products Inc.); Cpds. for the treatment of ischemia. EP 1216257; JP 2003510331; WO 0123399 . |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (XII) | 61370 | tert-butyl (2S,3S,4R,5R)-5-(6-chloro-9H-purin-9-yl)-4-hydroxy-2-[(methylamino)carbonyl]tetrahydro-3-furanylcarbamate | C16H21ClN6O5 | 详情 | 详情 | |
| (XIII) | 61371 | 2-(5-chloro-2-hydroxybenzyl)-1H-isoindole-1,3(2H)-dione | C15H10ClNO3 | 详情 | 详情 | |
| (XIV) | 13343 | (3-Methyl-5-isoxazolyl)methanol | C5H7NO2 | 详情 | 详情 | |
| (XV) | 61372 | 2-{5-chloro-2-[(3-methyl-5-isoxazolyl)methoxy]benzyl}-1H-isoindole-1,3(2H)-dione | C20H15ClN2O4 | 详情 | 详情 | |
| (XVI) | 61373 | 5-chloro-2-[(3-methyl-5-isoxazolyl)methoxy]benzylamine; {5-chloro-2-[(3-methyl-5-isoxazolyl)methoxy]phenyl}methanamine | C12H13ClN2O2 | 详情 | 详情 | |
| (XVII) | 61374 | tert-butyl (2S,3S,4R,5R)-5-[6-({5-chloro-2-[(3-methyl-5-isoxazolyl)methoxy]benzyl}amino)-9H-purin-9-yl]-4-hydroxy-2-[(methylamino)carbonyl]tetrahydro-3-furanylcarbamate | C28H33ClN8O7 | 详情 | 详情 |