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【结 构 式】

【分子编号】60562

【品名】2,4-difluorobenzenethiol; 2,4-difluorophenylhydrosulfide

【CA登记号】

【 分 子 式 】C6H4F2S

【 分 子 量 】146.1605664

【元素组成】C 49.31% H 2.76% F 26% S 21.94%

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:(IV)

The condensation of 2-(2,6-dichlorophenyl)acetonitrile (I) with 3,6-dichloropyridazin-3-yl)acetonitrile (III), wich is condensed with 2,4-difluorothiophenol (IV) by means of NaH in THF to yield the thioether (V). The partial hydrolysis of the cyano group of (V) with conc. H2SO4 at 100 CC affords the acetamide (VI), wich is finally cyclized with N,N-dimethylformamidedimethylacetal (VII) in refluxing toluene te provide the target pyrimido-pyridazine derivative.

1 Salituro, F.G.; Duffy, J.P.; Murcko, M.A.; Bemis, G.W.; Su, M.; Wilson, K.P.; Cochran, J.E.; Harrington, E.M.; Galullo, V.P. (Vertex Pharmaceuticals Inc.); Substd. nitrogen containing heterocycles as inhibitors of p38 protein kinase. EP 0951467; JP 2001506266; WO 9827098 .
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) 18202 2-(2,6-dichlorophenyl)acetonitrile; 2,6-Dichlorophenylacetonitrile 3215-64-3 C8H5Cl2N 详情 详情
(II) 11292 3,6-Dichloropyridazine 141-30-0 C4H2Cl2N2 详情 详情
(III) 60561 2-(2,6-dichlorophenyl)-2-(6-methyl-3-pyridazinyl)acetonitrile C13H9Cl2N3 详情 详情
(IV) 60562 2,4-difluorobenzenethiol; 2,4-difluorophenylhydrosulfide C6H4F2S 详情 详情
(V) 60563 2-(2,6-dichlorophenyl)-2-{6-[(2,4-difluorophenyl)sulfanyl]-3-pyridazinyl}acetonitrile C18H9Cl2F2N3S 详情 详情
(VI) 60564 2-(2,6-dichlorophenyl)-2-{6-[(2,4-difluorophenyl)sulfanyl]-3-pyridazinyl}acetamide C18H11Cl2F2N3OS 详情 详情
(VII) 11984 N-(Dimethoxymethyl)-N,N-dimethylamine;dimethylformamide dimethylacetal;1,1-dimethoxy-N,N-dimethylmethanamine; Dimethoxy-N,N-dimethylmethanamine; N,N-Dimethylformamide dimethyl acetal 4637-24-5 C5H13NO2 详情 详情
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