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【结 构 式】

【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