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【结 构 式】 
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【分子编号】44284 【品名】7-(tert-butyl)-6-chloro-3-(2,5-difluorophenyl)[1,2,4]triazolo[4,3-b]pyridazine 【CA登记号】 |
【 分 子 式 】C15H13ClF2N4 【 分 子 量 】322.7446864 【元素组成】C 55.82% H 4.06% Cl 10.98% F 11.77% N 17.36% |
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)Decarboxylative radical alkylation of 3,6-dichloropyridazine (I) using pivalic acid (II) and ammonium persulfate in the presence of silver nitrate catalyst furnished 3,6-dichloro-4-tert-butylpyridiazine (III). This was then condensed with 2,5-difluorobenzoyl hydrazide (IV) to produce the triazolopyridazine derivative (V). The remaining chlorine atom was finally displaced with (2-methyl-2H-1,2,4-triazol-3-yl)methanol (VI) using NaH in DMF to afford the title compound.
| 【1】 Madin, A.; Castro Pineiro, J.L.; Carling, W.R.; Street, L.J.; Russell, M.G.; Moore, K.W.; Guiblin, A.R.; Broughton, H.B. (Merck Sharp & Dohme Ltd.); Substd. triazolo-pyridazine derivs. as ligands for GABA receptors. EP 0915875; WO 9804559 . |
| 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) | 11292 | 3,6-Dichloropyridazine | 141-30-0 | C4H2Cl2N2 | 详情 | 详情 |
| (II) | 44281 | pivalic acid | 75-98-9 | C5H10O2 | 详情 | 详情 |
| (III) | 44282 | 4-(tert-butyl)-3,6-dichloropyridazine | C8H10Cl2N2 | 详情 | 详情 | |
| (IV) | 44283 | 2,5-difluorobenzohydrazide | C7H6F2N2O | 详情 | 详情 | |
| (V) | 44284 | 7-(tert-butyl)-6-chloro-3-(2,5-difluorophenyl)[1,2,4]triazolo[4,3-b]pyridazine | C15H13ClF2N4 | 详情 | 详情 | |
| (VI) | 44285 | (1-methyl-1H-1,2,4-triazol-5-yl)methanol | C4H7N3O | 详情 | 详情 |
Extended Information