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【结 构 式】 
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【分子编号】59069 【品名】(Z)-3-(dimethylamino)-2-(4-fluorophenyl)-1-(4-pyridinyl)-2-propen-1-one 【CA登记号】 |
【 分 子 式 】C16H15FN2O 【 分 子 量 】270.3063832 【元素组成】C 71.1% H 5.59% F 7.03% N 10.36% O 5.92% |
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：(II)Condensation of 2-(4-fluorophenyl)-1-(4-pyridyl)ethanone (I) with dimethylformamide-dimethylacetal gives the enamino ketone (II). This is cyclized with thiourea (III) in the presence of NaOEt to produce the pyrimidine-2-thione (IV). Finally, S-alkylation of (IV) with 2-(methylsulfinyl)benzyl chloride (V) yields the target compound.
| 【1】 Wagner, G.K.; Laufer, S.A.; From imidazoles to pyrimidines: New inhibitors of cytokine release. J Med Chem 2002, 45, 13, 2733. |
| 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) | 37912 | 2-(4-fluorophenyl)-1-(4-pyridinyl)-1-ethanone | C13H10FNO | 详情 | 详情 | |
| (II) | 59069 | (Z)-3-(dimethylamino)-2-(4-fluorophenyl)-1-(4-pyridinyl)-2-propen-1-one | C16H15FN2O | 详情 | 详情 | |
| (III) | 10180 | Thiourea | 62-56-6 | CH4N2S | 详情 | 详情 |
| (IV) | 59070 | 5-(4-fluorophenyl)-4-(4-pyridinyl)-2(1H)-pyrimidinethione | C15H10FN3S | 详情 | 详情 | |
| (V) | 59071 | 2-(chloromethyl)phenyl methyl sulfoxide; [2-(chloromethyl)phenyl](methyl)oxo-lambda~4~-sulfane | C8H9ClOS | 详情 | 详情 |
Extended Information