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【结 构 式】 
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【分子编号】23844 【品名】(E)-1-[4-(methylsulfinyl)phenyl]-3-(4-pyridinyl)-2-propen-1-one 【CA登记号】 |
【 分 子 式 】C15H13NO2S 【 分 子 量 】271.33976 【元素组成】C 66.4% H 4.83% N 5.16% O 11.79% S 11.82% |
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：(III)The condensation of pyridine-4-carbaldehyde (I) with 4-(methylsulfinyl)acetophenone (II) by means of diethylamine in pyridine gives the chalcone (III), which is treated with 4-fluorobenzaldehyde (IV) and NaCN in DMF to afford the butanedione (V). Finally, this compound is cyclized with ammonium acetate in refluxing acetic acid.
| 【1】 Pyrroles and other heterocycles as inhibitors of P. Bioorg Med Chem Lett 1998, 8, 19, 2689. |
| 【2】 De Laszlo, S.E.; Mantlo, N.B. (Merck & Co., Inc.); Substd. aryl pyrroles, compsns. containing such cp. WO 9716441 . |
| 【3】 De Laszlo, S.E.; Mantlo, N.B.; Ponticello, G.S.; Selnick, H.G.; Liverton, N.J. (Merck & Co., Inc.); 2,5-Substd. aryl pyrroles, comspns. containing suc. EP 0871444; JP 1999510511; WO 9705878 . |
| 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) | 17203 | 4-Pyridinecarboxaldehyde; isonicotinaldehyde | 872-85-5 | C6H5NO | 详情 | 详情 |
| (II) | 23842 | 1-[4-(methylsulfinyl)phenyl]-1-ethanone | C9H10O2S | 详情 | 详情 | |
| (III) | 23844 | (E)-1-[4-(methylsulfinyl)phenyl]-3-(4-pyridinyl)-2-propen-1-one | C15H13NO2S | 详情 | 详情 | |
| (IV) | 12317 | 3-[(Z)-1-Naphthylmethylidene]-2,5(4H)-furandione | C15H10O3 | 详情 | 详情 | |
| (V) | 23845 | 1-(4-fluorophenyl)-4-[4-(methylsulfinyl)phenyl]-2-(4-pyridinyl)-1,4-butanedione | C22H18FNO3S | 详情 | 详情 | |
| (VI) | 23846 | 2-methyl-5-phenyl-1H-pyrrole | C11H11N | 详情 | 详情 |
Extended Information