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【结 构 式】

【分子编号】50480

【品名】(E)-2-cyano-2-cyclopropylethenyl acetate

【CA登记号】

【 分 子 式 】C8H9NO2

【 分 子 量 】151.165

【元素组成】C 63.56% H 6% N 9.27% O 21.17%

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:(XIII)

In a related method, Claisen condensation of ethyl formate with cyclopropaneacetonitrile (X), followed by acetylation of the intermediate potassium enolate (XII) with Ac2O, furnished the (acetoxy)acrylonitrile (XIII). This was finally cyclized with amidine (IX) in the presence of Et3N in refluxing toluene.

1 Straub, A.; Alonso-Alija, C.; Preiss, M.; Janichen, J. (Bayer AG); Method for the production of substd. pyrimidine derivs.. DE 19942809; WO 0117998 .
中间体序号 中间体编号 品名 CAS号 分子式 供应商 用于合成
(IX) 50477 1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridine-3-carboximidamide 256376-68-8 C14H12FN5 详情 详情
(X) 16824 2-cyclopropylacetonitrile; Cyclopropylacetonitrile 6542-60-5 C5H7N 详情 详情
(XII) 50479 potassium (E)-2-cyano-2-cyclopropyl-1-ethenolate C6H6KNO 详情 详情
(XIII) 50480 (E)-2-cyano-2-cyclopropylethenyl acetate C8H9NO2 详情 详情
Extended Information