2-amino-2-(3,4-dichlorophenyl)acetonitrile -Drug Synthesis Database

【结构式】

【分子编号】61387

【品名】2-amino-2-(3,4-dichlorophenyl)acetonitrile

【CA登记号】

【分子式】C₈H₆Cl₂N₂

【分子量】201.05452

【元素组成】C 47.79% H 3.01% Cl 35.27% N 13.93%

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：(II)

It is prepared through the following sequence: The Strecker reaction of 3,4-dichlorobenzaldehyde (I) with sodium cyanide and NH4Cl affords alpha-amino-3,4-dichlorophenylacetonitrile (II) (HCl salt, m.p. 184-5 C), which is reduced with LiAlH4 to 2-amino-1-(3',4'-dichlorophenyl)ethylamine (III) (di HCl salt, m.p. 283-5 C). Finally compound (III) is cyclized with BrCN in benzene.

参考文献中间体

合成目标

【1】 Castaner, J.; Blancafort, P.; M J 10459 - 2. Drugs Fut 1976, 1, 5, 250.
【2】 Mathier, W.L.; et al.; 9-Cis retinoic acid enhances the effectiveness of PPARgamma-specific agonists in non-small cell lung cancer (NSCLC) cell lines. J Med Chem 1973, 16, 901.

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)	18122	3,4-Dichlorobenzaldehyde	6287-38-3	C₇H₄Cl₂O	详情	详情
(II)	61387	2-amino-2-(3,4-dichlorophenyl)acetonitrile		C₈H₆Cl₂N₂	详情	详情
(III)	61388	1-(3,4-dichlorophenyl)-1,2-ethanediamine; 2-amino-1-(3,4-dichlorophenyl)ethylamine		C₈H₁₀Cl₂N₂	详情	详情

Extended Information