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【结 构 式】

【分子编号】21027

【品名】2-bromo-1,3-cyclohexanedione

【CA登记号】

【 分 子 式 】C6H7BrO2

【 分 子 量 】191.02438

【元素组成】C 37.73% H 3.69% Br 41.83% O 16.75%

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)

1,3-Cyclohexanedione (I) was brominated in cold water, and the resulting 2-bromo-1,3-cyclohexanedione (II) was condensed with 2-aminopyridine (III) in boiling EtOH to afford the dihydropyridobenzimidazolone (IV). Further bromination in concentrated HBr at 70 C gave bromoketone (V), which was finally condensed with thiourea (VI) in EtOH to yield the target tetracyclic compound.

1 Yoo, H.Y.; Chung, K.J.; Chai, J.P.; Chang, M.S.; Kim, S.G.; Choi, W.S.; Kim, Y.H.; Chun, J.K.; Chung, Y.K.; Kim, Y.H.; Paek, J.H.; Seo, K.H.; Kang, D.P. (Yung-Jin Pharmaceutical Co., Ltd.); Heterocycle-fused thiazole derivs.. EP 0843681; JP 1998508877; WO 9703076 .
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) 11244 1,3-Cyclohexanedione 504-02-9 C6H8O2 详情 详情
(II) 21027 2-bromo-1,3-cyclohexanedione C6H7BrO2 详情 详情
(III) 11305 2-Pyridinamine; 2-Pyridinylamine; 2-Aminopyridine 504-29-0 C5H6N2 详情 详情
(IV) 10180 Thiourea 62-56-6 CH4N2S 详情 详情
(IV) 21029 7,8-dihydropyrido[1,2-a]benzimidazol-9(6H)-one C11H10N2O 详情 详情
(V) 21030 8-bromo-7,8-dihydropyrido[1,2-a]benzimidazol-9(6H)-one C11H9BrN2O 详情 详情
Extended Information