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【结 构 式】 
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【分子编号】38943 【品名】tert-butyl (E)-3-(4-[4-[4-[(E)-3-(tert-butoxy)-3-oxo-1-propenyl]phenyl]-2-[4-(diethylamino)phenyl]-1H-imidazol-5-yl]phenyl)-2-propenoate 【CA登记号】 |
【 分 子 式 】C39H45N3O4 【 分 子 量 】619.80412 【元素组成】C 75.58% H 7.32% N 6.78% O 10.33% |
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)Coupling of tert-butyl acrylate (II) with 4,4'-dibromobenzyl (I) using palladium diacetate and tri-o-tolyl phosphine produced diester (III). Subsequent condensation of (III) with 4-(diethylamino)benzaldehyde (IV) in the presence of ammonium acetate generated the required imidazole system (V). Finally, deprotection of the tert-butyl esters of (V) by treatment with trifluoroacetic acid afforded the title dicarboxylic acid.
| 【1】 Mjalli, A.; Sarshar, S.; Cao, X.; Bakir, F. (Ontogen Corp.); Modulators of proteins with phosphotyrosine recognition units. US 5753687; US 5770620 . |
| 【2】 Mjalli, A.; Sarshar, S.; Bakir, F.; Cao, X. (Ontogen Corp.); Modulators of proteins with phosphotyrosine recognition units. WO 9827065 . |
| 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) | 38940 | 1,2-bis(4-bromophenyl)-1,2-ethanedione | 35578-47-3 | C14H8Br2O2 | 详情 | 详情 |
| (II) | 12760 | tert-butyl acrylate | 1663-39-4 | C7H12O2 | 详情 | 详情 |
| (III) | 38941 | tert-butyl (E)-3-[4-(2-[4-[(E)-3-(tert-butoxy)-3-oxo-1-propenyl]phenyl]-2-oxoacetyl)phenyl]-2-propenoate | C28H30O6 | 详情 | 详情 | |
| (IV) | 38942 | N,N-Diethyl-p-aminobenzaldehyde; 4-(diethylamino)benzaldehyde | 120-21-8 | C11H15NO | 详情 | 详情 |
| (V) | 38943 | tert-butyl (E)-3-(4-[4-[4-[(E)-3-(tert-butoxy)-3-oxo-1-propenyl]phenyl]-2-[4-(diethylamino)phenyl]-1H-imidazol-5-yl]phenyl)-2-propenoate | C39H45N3O4 | 详情 | 详情 |
Extended Information