4-(tert-butyl)-3,6-dichloropyridazine -Drug Synthesis Database

【结构式】

【分子编号】44282

【品名】4-(tert-butyl)-3,6-dichloropyridazine

【CA登记号】

【分子式】C₈H₁₀Cl₂N₂

【分子量】205.08628

【元素组成】C 46.85% H 4.91% Cl 34.57% N 13.66%

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：(III)

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.

参考文献中间体

合成目标

【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