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【结 构 式】 
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【分子编号】54977 【品名】N-(4-fluorophenyl)guanidine 【CA登记号】 |
【 分 子 式 】C7H8FN3 【 分 子 量 】153.1591432 【元素组成】C 54.9% H 5.26% F 12.4% N 27.44% |
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：(XII)In an alternative procedure, 4-fluoroaniline (XI) was condensed with cyanamide under acidic conditions to afford the fluorophenyl guanidine (XII). Cyclization of guanidine (XII) with ethyl 2-methylacetoacetate (XIII) in hot DMF produced pyrimidine (XIV). After chlorination of (XIV) with POCl3, the resultant chloropyrimidine (XV) was condensed with tetrahydroisoquinoline (IV) in the presence of either KOAc or Et3N to furnish the title diaminopyrimidine.
| 【1】 Lee, Y.N.; Hong, Y.W.; Kim, H.B. (Yuhan Corp.); Process for preparation of pyrmidine derivs.. US 5990311; WO 9742186 . |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (IV) | 54971 | 1-methyl-1,2,3,4-tetrahydroisoquinoline | C10H13N | 详情 | 详情 | |
| (XI) | 37690 | 4-fluorophenylamine; 4-fluoroaniline | 371-40-4 | C6H6FN | 详情 | 详情 |
| (XII) | 54977 | N-(4-fluorophenyl)guanidine | C7H8FN3 | 详情 | 详情 | |
| (XIII) | 10362 | ethyl 2-methyl-3-oxobutanoate; ethyl 2-methylacetoacetate | 609-14-3 | C7H12O3 | 详情 | 详情 |
| (XIV) | 54978 | 2-(4-fluoroanilino)-5,6-dimethyl-4-pyrimidinol | C12H12FN3O | 详情 | 详情 | |
| (XV) | 54979 | N-(4-chloro-5,6-dimethyl-2-pyrimidinyl)-N-(4-fluorophenyl)amine; 4-chloro-N-(4-fluorophenyl)-5,6-dimethyl-2-pyrimidinamine | C12H11ClFN3 | 详情 | 详情 |
Extended Information