potassium (E)-2-cyano-2-cyclopropyl-1-ethenolate -Drug Synthesis Database

【结构式】

【分子编号】50479

【品名】potassium (E)-2-cyano-2-cyclopropyl-1-ethenolate

【CA登记号】

【分子式】C₆H₆KNO

【分子量】147.21808

【元素组成】C 48.95% H 4.11% K 26.56% N 9.51% O 10.87%

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：(XII)

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.

参考文献中间体

合成目标

【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