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【结 构 式】

【分子编号】16874

【品名】N-(4,4-dimethoxybutyl)-N,N-diethylamine; N,N-diethyl-4,4-dimethoxy-1-butanamine

【CA登记号】

【 分 子 式 】C10H23NO2

【 分 子 量 】189.29816

【元素组成】C 63.45% H 12.25% N 7.4% O 16.9%

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:(XIV)

3) The condensation of 4-nitrobenzyl bromide (VI) with 4-amino-1,2,4-triazole (XII) in refluxing isopropanol gives 4-amino-1-(3-nitrobenzyl)-1,2,4-triazolium bromide (XIII), which is deaminated with NaNO2/HCl to afford 1-(4-nitrobenzyl)-1,2,4-triazole (VIII). The reduction of (VIII) yields amine (I), which by diazotation and reduction with Na2SO3 yields the corresponding hydrazine (IX). Finally, (IX) is cyclized with 4-(dimethylamino)butanal dimethylacetal (XIV) in acidic water.

1 Castañer, J.; Mealy, N.; Rabassseda, X.; MK-0462. Drugs Fut 1995, 20, 7, 676.
2 Baker, R.; Pitt, K.G.; Matassa, V.G.; Storey, D.E.; Olive, C.; Street, L.J. (Merck Sharp & Dohme Ltd.); The sulphate salt of a substd. triazole, pharmaceutical compsns. thereof, and their use in therapy. EP 0573221; US 5527817; WO 9325547 .
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) 16680 methyl (2S)-2-(acetylsulfanyl)propanoate C6H10O3S 详情 详情
(VI) 16866 1-(Bromomethyl)-4-nitrobenzene; para-Nitrobenzyl bromide 100-11-8 C7H6BrNO2 详情 详情
(VIII) 16868 1-(4-nitrobenzyl)-1H-1,2,4-triazole C9H8N4O2 详情 详情
(XI) 16869 1-(4-hydrazinobenzyl)-1H-1,2,4-triazole C9H11N5 详情 详情
(XII) 16106 4H-1,2,4-triazol-4-amine; 4-Amino-4H-1,2,4-triazole; 4H-1,2,4-triazol-4-ylamine; 4-Amino-1,2,4-triazole 584-13-4 C2H4N4 详情 详情
(XIII) 16873 4-amino-1-(4-nitrobenzyl)-1H-1,2,4-triazol-4-ium bromide 6085-99-0 C9H10BrN5O2 详情 详情
(XIV) 16874 N-(4,4-dimethoxybutyl)-N,N-diethylamine; N,N-diethyl-4,4-dimethoxy-1-butanamine C10H23NO2 详情 详情
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