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【结 构 式】

【分子编号】16675

【品名】3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydro-1H-purine-2,6-dione; Pentoxifylline

【CA登记号】6493-05-6

【 分 子 式 】C13H18N4O3

【 分 子 量 】278.31108

【元素组成】C 56.1% H 6.52% N 20.13% O 17.25%

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:(XXXIV)

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
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