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【结 构 式】 
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【分子编号】30388 【品名】4-chloro-6-isopropyl-2-pyrimidinylamine; 4-chloro-6-isopropyl-2-pyrimidinamine 【CA登记号】 |
【 分 子 式 】C7H10ClN3 【 分 子 量 】171.62932 【元素组成】C 48.99% H 5.87% Cl 20.66% N 24.48% |
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)Cyclization of ethyl 4-methyl-3-oxopentanoate (I) with guanidine carbonate (II) in boiling EtOH gave 2-amino-4-hydroxy-6-isopropylpyrimidine (III), which was converted to the corresponding chloropyrimidine (IV) by means of POCl3. Boronic ester (VI) was prepared by lithiation of 1-bromo-4-fluoronaphthalene (V) with n-butyllithium, followed by reaction with trimethyl borate. Subsequent coupling of chloropyrimidine (IV) with boronic ester (VI) in the presence of tetrakis(triphenylphosphine)palladium yielded the target naphthylpyrimidine.
| 【1】 Berger, J.; Flippin, L.A.; Greenhouse, R.; Jaime-Figueroa, S.; Liu, Y.; Miller, A.K.; Putman, D.G.; Weinhardt, K.K.; Zhao, S.-H. (F. Hoffmann-La Roche AG); Aryl pyrimidine derivs.. EP 0901474; US 5863924; WO 9744326 . |
| 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) | 19408 | ethyl 4-methyl-3-oxopentanoate | 7152-15-0 | C8H14O3 | 详情 | 详情 |
| (II) | 14790 | Guanidine | 113-00-8 | CH5N3 | 详情 | 详情 |
| (III) | 30387 | 2-amino-6-isopropyl-4-pyrimidinol | C7H11N3O | 详情 | 详情 | |
| (IV) | 30388 | 4-chloro-6-isopropyl-2-pyrimidinylamine; 4-chloro-6-isopropyl-2-pyrimidinamine | C7H10ClN3 | 详情 | 详情 | |
| (V) | 30389 | 1-bromo-4-fluoronaphthalene | 341-41-3 | C10H6BrF | 详情 | 详情 |
| (VI) | 30390 | dimethyl 4-fluoro-1-naphthylboronate | C12H12BFO2 | 详情 | 详情 |
Extended Information