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【结 构 式】 
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【分子编号】60563 【品名】2-(2,6-dichlorophenyl)-2-{6-[(2,4-difluorophenyl)sulfanyl]-3-pyridazinyl}acetonitrile 【CA登记号】 |
【 分 子 式 】C18H9Cl2F2N3S 【 分 子 量 】408.2578864 【元素组成】C 52.96% H 2.22% Cl 17.37% F 9.31% N 10.29% S 7.85% |
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)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 |
Extended Information