3,3-diaminoacrylonitrile -Drug Synthesis Database

【结构式】

【分子编号】42081

【品名】3,3-diaminoacrylonitrile

【CA登记号】

【分子式】C₃H₅N₃

【分子量】83.09292

【元素组成】C 43.36% H 6.07% N 50.57%

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 partial hydrolysis of malonodinitrile (I) with HCl in ethanol gives 2-cyanoacetamide (II), which is treated with ammonia in ethanol to yield 3,3-diaminopropenenitrile (III). Finally, this compound is cyclized with 2-bromo-1-(2-fluorophenyl)-1-propanone (IV) by means of TEA in ethanol.

参考文献中间体

合成目标

【1】 Tsuda, M.; et al.; Studies on potassium channel openers: Synthesis and pharmacological properties of novel pyrrole derivatives. 20th Symp Med Chem (Dec 6 2000, Tokyo) 2000, Abst 2P-24.

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)	12061	Malononitrile	109-77-3	C₃H₂N₂	详情	详情
(II)	12122	Cyanoacetamide; 2-Cyanoacetamide	107-91-5	C₃H₄N₂O	详情	详情
(III)	42081	3,3-diaminoacrylonitrile		C₃H₅N₃	详情	详情
(IV)	42082	2-bromo-1-(2-fluorophenyl)-1-propanone		C₉H₈BrFO	详情	详情

Extended Information