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【结 构 式】 
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【分子编号】16677 【品名】(1R)-5-(3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)-1-methylpentyl benzoate 【CA登记号】 |
【 分 子 式 】C20H24N4O4 【 分 子 量 】384.43512 【元素组成】C 62.49% H 6.29% N 14.57% O 16.65% |
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：(XXXVI)5) The enantioselective microbial reduction of 3,7-dimethyl-1-(5-oxohexyl)xanthine (pentoxifylline) (XXXIV) with Rhodotorula rubra DSM 5436 in isopropanol gives 1-[5(S)-hydroxyhexyl]-3,7-dimethylxanthine (XXXV), which is then submitted to optical inversion with benzoic acid, triphenylphosphine and diethyl azodicarboxylate in THF to afford 5'-O-benzoyllisofylline (XXXVI). Finally, this compound is debenzoylated with K2CO3 in methanol.
| 【1】 Graul, J.; Casas, A.; Castañer, J.; Lisofylline. Drugs Fut 1997, 22, 5, 492. |
| 【2】 Aretz, W.; Furrer, H.; Gebert, U.; Hinze, H.-J. (Aventis SA); Process for the enantioselective preparation of (omega-1)-hydroxyalkyl xanthines. DE 3942872 . |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (XXXIV) | 16675 | 3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydro-1H-purine-2,6-dione; Pentoxifylline | 6493-05-6 | C13H18N4O3 | 详情 | 详情 |
| (XXXV) | 16676 | 1-[(5S)-5-hydroxyhexyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione | C13H20N4O3 | 详情 | 详情 | |
| (XXXVI) | 16677 | (1R)-5-(3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)-1-methylpentyl benzoate | C20H24N4O4 | 详情 | 详情 |
Extended Information