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【结 构 式】 
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【分子编号】48614 【品名】3-(3-pyridinyl)-2-propynyl (E)-3-amino-2-butenoate 【CA登记号】 |
【 分 子 式 】C12H12N2O2 【 分 子 量 】216.23956 【元素组成】C 66.65% H 5.59% N 12.95% O 14.8% |
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：(VI)Palladium-catalyzed coupling of 3-bromopyridine (I) with propargyl alcohol (II) produced 3-(3-pyridyl)propargyl alcohol (III). Reaction of alcohol (III) with diketene (IV) in the presence of DMAP gave the acetoacetate ester (V), which was subsequently treated with ammonia in THF to furnish the enamino ester (VI). The title dihydropyridine derivative was then obtained by Hantzsch's synthesis upon condensation between ethyl 4-(2-isopropylimidazo[4,5-c]pyridin-1-yl)benzoylacetate (VII), enamino ester (VI) and 3,3-diphenylpropanal in refluxing EtOH.
| 【1】 Tasaka, S.; Omori, H.; Tanabe, H.; Gomi, N.; Kiue, A. (Nikken Chemicals Co., Ltd.); 1,4-Dihydropyridine derivs.. EP 1055672; JP 2000044559; US 6306853; WO 9941250 . |
| 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) | 13255 | methyl 3-[((1R,2E,4Z)-1-[(S)-hydroxy[3-(2-trityl-2H-1,2,3,4-tetraazol-5-yl)phenyl]methyl]-2,4-tetradecadienyl)sulfanyl]propanoate | C45H52N4O3S | 详情 | 详情 | |
| (II) | 16664 | Propargyl Alcohol; 2-propyn-1-ol | 107-19-7 | C3H4O | 详情 | 详情 |
| (III) | 48612 | 3-(3-pyridinyl)-2-propyn-1-ol | C8H7NO | 详情 | 详情 | |
| (IV) | 11367 | 4-Methylene-2-oxetanone; Acetyl ketene | 674-82-8 | C4H4O2 | 详情 | 详情 |
| (V) | 48613 | 3-(3-pyridinyl)-2-propynyl 3-oxobutanoate | C12H11NO3 | 详情 | 详情 | |
| (VI) | 48614 | 3-(3-pyridinyl)-2-propynyl (E)-3-amino-2-butenoate | C12H12N2O2 | 详情 | 详情 | |
| (VII) | 48615 | ethyl 3-[4-(2-isopropyl-1H-imidazo[4,5-c]pyridin-1-yl)phenyl]-3-oxopropanoate | C20H21N3O3 | 详情 | 详情 |
Extended Information