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【结 构 式】

【分子编号】43765

【品名】5-bromo-3-[[3-(4-pyridinyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino]-1H-indol-2-one

【CA登记号】

【 分 子 式 】C15H9BrN6OS

【 分 子 量 】401.2463

【元素组成】C 44.9% H 2.26% Br 19.91% N 20.94% O 3.99% S 7.99%

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:(V)

Isoniazid (I) was treated with carbon disulfide and KOH to give potassium 4-pyridyl dithiocarbazinate (II). Cyclization of (II) in the presence of hydrazine produced the amino triazole (III). This was condensed with 5-bromoisatin (IV), yielding the imino adduct (V). Finally, Mannich reaction of (V) with piperidine (VI) and formaldehyde furnished the title compound.

1 de Clercq, E.; Nath, G.; Pandeya, S.N.; Sriram, D.; Synthesis, antibacterial, antifungal and anti-HIV evaluation of Schiff and Mannich bases of isatin and its derivatives with triazole. Arzneim-Forsch Drug Res 2000, 50, 1, 55.
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) 26079 Isonicotinohydrazide 54-85-3 C6H7N3O 详情 详情
(II) 43763 potassium 2-isonicotinoyl-1-hydrazinecarbodithioate C7H6KN3OS2 详情 详情
(III) 43764 4-amino-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol; 4-amino-5-(4-pyridinyl)-4H-1,2,4-triazol-3-ylhydrosulfide C7H7N5S 详情 详情
(IV) 42952 6,8,11-trihydroxy-7H-benzo[e]perimidin-7-one C15H8N2O4 详情 详情
(V) 43765 5-bromo-3-[[3-(4-pyridinyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino]-1H-indol-2-one C15H9BrN6OS 详情 详情
(VI) 10158 Piperidine 110-89-4 C5H11N 详情 详情
Extended Information