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【结 构 式】

【分子编号】13592

【品名】7-(3-Bromopropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

【CA登记号】

【 分 子 式 】C10H13BrN4O2

【 分 子 量 】301.14298

【元素组成】C 39.88% H 4.35% Br 26.53% N 18.6% O 10.63%

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:(III)

Reaction of theophylline (I) with 1,3-dibromopropane (II) in DMF in the presence of triethylamine afforded the bromo intermediate (III)) in 77% yield. Reaction of (III) with 4-hydroxypiperidine (IV) in DMF in the presence of sodium bicarbonate afforded the unsubstituted hydroxypiperidinyl intermediate (V) in 31% yield which was subsequently alkylated with diphenylmethylbromide (VI) to afford Wy-49,051 in 29% yield.

1 Abou-Gharbia, M.A.; Nielsen, S.T.; Webb, M.B. (American Home Products Corp.); Histamine H1-antagonists. EP 0271192; GB 2196963; JP 1988152381; US 4716166 .
2 Abou-Gharbia, M.; Wy-49,051. Drugs Fut 1990, 15, 2, 137.
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) 63786 1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione C7H8N4O2 详情 详情
(II) 12581 1,3-Dibromopropane 109-64-8 C3H6Br2 详情 详情
(III) 13592 7-(3-Bromopropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione C10H13BrN4O2 详情 详情
(IV) 12076 4-Piperidinol; 4-Hydroxypiperidine 5382-16-1 C5H11NO 详情 详情
(V) 13593 7-[3-(4-Hydroxy-1-piperidinyl)propyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione C15H23N5O3 详情 详情
(VI) 12079 Bromodiphenylmethane; 1-[Bromo(phenyl)methyl]benzene; Benzhydrylbromide 776-74-9 C13H11Br 详情 详情
(VII) 63787 7-{3-[4-(benzhydryloxy)-1-piperidinyl]propyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione C28H33N5O3 详情 详情
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