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【结 构 式】 
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【分子编号】28609 【品名】2-(2,6-dichlorophenyl)-3-oxobutanenitrile 【CA登记号】 |
【 分 子 式 】C10H7Cl2NO 【 分 子 量 】228.07712 【元素组成】C 52.66% H 3.09% Cl 31.09% N 6.14% O 7.01% |
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 2-(2,6-dichlorophenyl)acetonitrile (I) with ethyl acetate (II) by means of sodium ethoxide in refluxing ethanol gives 2-(2,6-dichlorophenyl)-3-oxobutyronitrile (III), which is methylated with diazomethane in ether yielding the enol ether (IV). Finally, this compound is cyclized with guanidine (V) by means of sodium ethoxide in refluxing ethanol.
| 【1】 Miller, A.A.; Nobbs, M.S.; Hyde, R.M.; Leach, M.J. (Glaxo Wellcome plc); Pharmacologically active CNS cpds.. AU 8945964; EP 0372934; EP 0713703; EP 0715851; EP 0727212; EP 0727213; EP 0727214; JP 1990202876; US 5587380; US 5597828; US 5635507; US 5684005 . |
| 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) | 18202 | 2-(2,6-dichlorophenyl)acetonitrile; 2,6-Dichlorophenylacetonitrile | 3215-64-3 | C8H5Cl2N | 详情 | 详情 |
| (II) | 17491 | ethyl acetate | 141-78-6 | C4H8O2 | 详情 | 详情 |
| (III) | 28609 | 2-(2,6-dichlorophenyl)-3-oxobutanenitrile | C10H7Cl2NO | 详情 | 详情 | |
| (IV) | 28610 | (Z)-2-(2,6-dichlorophenyl)-3-methoxy-2-butenenitrile | C11H9Cl2NO | 详情 | 详情 | |
| (V) | 14790 | Guanidine | 113-00-8 | CH5N3 | 详情 | 详情 |
Extended Information