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【结 构 式】

【分子编号】52899

【品名】Pentanamide; Valeramide; n-Valeramide

【CA登记号】626-97-1

【 分 子 式 】C5H11NO

【 分 子 量 】101.14848

【元素组成】C 59.37% H 10.96% N 13.85% O 15.82%

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:(II)

Condensation of 4-amino-5-cyanoimidazole (I) with pentanamide (II) upon heating at 210 C produced the 2-butyladenine (III). Subsequent alkylation of (III) with 4-fluorobenzyl chloride (IV) yielded the 9-fluorobenzyl adenine (V). This was brominated at position 8 using Br2 and NaOAc in HOAc. The resultant 8-bromo adenine (VI) was finally hydrolyzed under acidic conditions to the title 8-hydroxy derivative.

1 Matsui, H.; Takaku, H.; Isobe, Y.; Ogita, H.; Tobe, M.; Tomizawa, H. (Japan Energy Corp.); Type 2 helper T cell-selective immune response suppressors. EP 1043021; US 6376501; WO 9932122 .
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) 52898 4(5)-Amino-1H-imidazole-5(4)-carbonitrile; 4(5)-Amino-5(4)-cyanoimidazole 5098-11-3 C4H4N4 详情 详情
(II) 52899 Pentanamide; Valeramide; n-Valeramide 626-97-1 C5H11NO 详情 详情
(III) 52900 2-butyl-9H-purin-6-amine; 2-butyl-9H-purin-6-ylamine C9H13N5 详情 详情
(IV) 12354 4-Fluorobenzyl chloride; 1-(Chloromethyl)-4-fluorobenzene 352-11-4 C7H6ClF 详情 详情
(V) 52901 2-butyl-9-(4-fluorobenzyl)-9H-purin-6-amine; 2-butyl-9-(4-fluorobenzyl)-9H-purin-6-ylamine C16H18FN5 详情 详情
(VI) 52902 8-bromo-2-butyl-9-(4-fluorobenzyl)-9H-purin-6-ylamine; 8-bromo-2-butyl-9-(4-fluorobenzyl)-9H-purin-6-amine C16H17BrFN5 详情 详情
Extended Information