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【结 构 式】 
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【分子编号】63787 【品名】7-{3-[4-(benzhydryloxy)-1-piperidinyl]propyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione 【CA登记号】 |
【 分 子 式 】C28H33N5O3 【 分 子 量 】487.60192 【元素组成】C 68.97% H 6.82% N 14.36% O 9.84% |
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：(VII)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 |
Extended Information